表观遗传学
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N-辛酰基-D-赤型鞘氨醇CAS号 : 74713-59-0 Compound CID : 5702614分子式: C26H51NO3 分子量: 425.688IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octanamideSMILES: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCC)OInChIKey: APDLCSPGWPLYEQ-WRBRXSDHSA-NInChI: InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/b21-19+/t24-,25+/m0/s1
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N-辛酰基-D-赤型-神经鞘氨醇CAS号 : 145774-33-0 Compound CID : 6610274分子式: C26H53NO3 分子量: 427.7IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octanamideSMILES: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCC)OInChIKey: LGOFBZUQIUVJFS-LOSJGSFVSA-NInChI: InChI=1S/C26H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h24-25,28-29H,3-23H2,1-2H3,(H,27,30)/t24-,25+/m0/s1
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奥拉帕尼 (AZD2281, Ku-0059436)CAS号 : 763113-22-0 Compound CID : 23725625分子式: C24H23FN4O3 分子量: 434.46IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-oneSMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)FInChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-NInChI: InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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OTX015,BET溴结构域抑制剂CAS号 : 202590-98-5 Compound CID : 9936746分子式: C25H22ClN5O2S 分子量: 491.99IUPAC Name: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamideSMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)CInChIKey: GNMUEVRJHCWKTO-FQEVSTJZSA-NInChI: InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
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OAC1,Oct4激活剂CAS号 : 300586-90-7 Compound CID : 789882分子式: C14H11N3O 分子量: 237.26IUPAC Name: N-(1H-pyrrolo[2,3-c]pyridin-5-yl)benzamideSMILES: C1=CC=C(C=C1)C(=O)NC2=NC=C3C(=C2)C=CN3InChIKey: HWJRIFZDXJKJJN-UHFFFAOYSA-NInChI: InChI=1S/C14H11N3O/c18-14(10-4-2-1-3-5-10)17-13-8-11-6-7-15-12(11)9-16-13/h1-9,15H,(H,16,17,18)
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桔梗皂苷DCAS号 : 58479-68-8 Compound CID : 162859分子式: C57H92O28 分子量: 1225.32IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateSMILES: O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(CO)(CO)[C@]3([H])CC[C@@]4(C)[C@]5(C)C[C@@H](O)[C@@]6(C(O[C@H]7[C@H](O[C@@H]8O[C@@H](C)[C@H](O[C@H]9[C@H](O)[C@@H](O[C@@H]%10OC[C@@](CO)(O)[C@H]%10O)[C@H](O)CO9)[C@@H](O)[C@H]8O)[C@@H](O)[C@@H](OInChIKey: CYBWUNOAQPMRBA-NDTOZIJESA-NInChI: InChI=1S/C57H92O28/c1-23-40(81-45-39(72)41(28(64)18-76-45)82-49-43(73)56(75,21-61)22-78-49)36(69)38(71)46(79-23)83-42-33(66)27(63)17-77-48(42)85-50(74)57-12-11-51(2,3)13-25(57)24-7-8-30-52(4)14-26(62)44(84-47-37(70)35(68)34(67)29(16-58)80-47)55(19-59,20-60)31(52)9-10-53(30,5)54(24,6)15-32(57)65/h7,23,25-49,58-73,75H,8-22H2,1-6H3/t23-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,52+,53+,54+,56+,57+/m0/s1
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苯乙双胍盐酸盐分子式: C10H15N5 · HCl 分子量: 241.72IUPAC Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydrochlorideSMILES: C1=CC=C(C=C1)CCN=C(N)N=C(N)N.ClInChIKey: YSUCWSWKRIOILX-UHFFFAOYSA-NInChI: InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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贝母素乙CAS号 : 18059-10-4 Compound CID : 167691分子式: C27H43NO3 分子量: 429.64IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-oneSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)OInChIKey: IQDIERHFZVCNRZ-YUYPDVIUSA-NInChI: InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
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