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PFI-3,bromodomain 和SMARCA4抑制剂CAS号: 1819363-80-8 Compound CID : 78243717分子式: C19H19N3O2 分子量: 321.4IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-oneSMILES: C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4OInChIKey: INAICWLVUAKEPB-QSTFCLMHSA-NInChI: 1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
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Tazemetostat (EPZ-6438)CAS号: 1403254-99-8 Compound CID : 66558664分子式: C34H44N4O4 分子量: 572.74IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamideSMILES: CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5InChIKey: NSQSAUGJQHDYNO-UHFFFAOYSA-NInChI: See more
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GSK1324726A (I-BET726)CAS号: 1300031-52-0分子式: C25H23ClN2O3 分子量: 434.91IUPAC Name: 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acidSMILES: CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)ClInChIKey: FAWSUKOIROHXAP-NPMXOYFQSA-NInChI: 1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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EED226CAS号: 2083627-02-3分子式: C17H15N5O3S 分子量: 369.4IUPAC Name: N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4InChIKey: DYIRSNMPIZZNBK-UHFFFAOYSA-NInChI: 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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MAK683CAS号: 1951408-58-4分子式: C20H17FN6O 分子量: 376.39IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CC1=C(C=CC=N1)C2=CN=C(N3C2=NN=C3)NCC4=C(C=CC5=C4CCO5)FInChIKey: XLIBABIFOBYHSV-UHFFFAOYSA-NInChI: 1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
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EED226CAS号: 2083627-02-3分子式: C17H15N5O3S 分子量: 369.4IUPAC Name: N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amineSMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4InChIKey: DYIRSNMPIZZNBK-UHFFFAOYSA-NInChI: 1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
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GSK1324726A (I-BET726)CAS号: 1300031-52-0分子式: C25H23ClN2O3 分子量: 434.91IUPAC Name: 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acidSMILES: CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)ClInChIKey: FAWSUKOIROHXAP-NPMXOYFQSA-NInChI: 1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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PFI-3CAS号: 1819363-80-8 Compound CID : 78243717分子式: C19H19N3O2 分子量: 321.4IUPAC Name: (E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-oneSMILES: C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4OInChIKey: INAICWLVUAKEPB-QSTFCLMHSA-NInChI: 1S/C19H19N3O2/c23-17-6-2-1-5-16(17)18(24)8-10-21-12-15-11-14(21)13-22(15)19-7-3-4-9-20-19/h1-10,14-15,23H,11-13H2/b10-8+/t14-,15-/m1/s1
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A-395CAS号: 2089148-72-9 Compound CID : 123132213分子式: C26H35FN4O2S 分子量: 486.65IUPAC Name: (3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amineSMILES: CN(C)C1CN(CC1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C4CCC5=C4C(=CC=C5)FInChIKey: REVJNSVNICWODC-KIDMSAQOSA-NInChI: 1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
