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米尔塔扎平CAS号: 85650-52-8分子式: C17H19N3 分子量: 265.35IUPAC Name: 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaeneSMILES: CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4InChIKey: RONZAEMNMFQXRA-UHFFFAOYSA-NInChI: 1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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莫索尼啶CAS号: 75438-57-2 EC号: 629-833-3分子式: C9H12ClN5O 分子量: 241.68IUPAC Name: 4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-2-methylpyrimidin-5-amineSMILES: CC1=NC(=C(C(=N1)Cl)NC2=NCCN2)OCInChIKey: WPNJAUFVNXKLIM-UHFFFAOYSA-NInChI: 1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)
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利哌酮CAS号: 106266-06-2 Compound CID : 5073分子式: C23H27FN4O2 分子量: 410.48IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-UHFFFAOYSA-NInChI: 1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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氯氮平CAS号: 5786-21-0分子式: C18H19ClN4 分子量: 326.82IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-NInChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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恩替诺特 (MS-275)CAS号: 209783-80-2分子式: C21H20N4O3 分子量: 376.41IUPAC Name: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamateSMILES: C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3InChIKey: INVTYAOGFAGBOE-UHFFFAOYSA-NInChI: 1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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培高利特CAS号: 66104-22-1 Compound CID : 47811分子式: C19H26N2S 分子量: 314.49IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolineSMILES: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSCInChIKey: YEHCICAEULNIGD-MZMPZRCHSA-NInChI: 1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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吡贝地尔分子式: C16H18N4O2 分子量: 298.35IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidineSMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-NInChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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Tubacin,HDAC6抑制剂CAS号: 1350555-93-9 Compound CID : 6675804分子式: C41H43N3O7S 分子量: 721.86IUPAC Name: N-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamideSMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6InChIKey: BHUZLJOUHMBZQY-YXQOSMAKSA-NInChI: See more
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MC 1742,I和IIb类HDAC抑制剂CAS号: 1776116-74-5分子式: C21H21N3O3S 分子量: 395.47IUPAC Name: N-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamideSMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=O)NC(=N3)SCCCCC(=O)NOInChIKey: AOFVDNFTELWRHV-UHFFFAOYSA-NInChI: 1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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AGN 192836CAS号: 171102-29-7 Compound CID : 10176999分子式: C12H13N3O2 分子量: 231.25IUPAC Name: N-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-amineSMILES: CC1=C(C=CC2=C1OCCO2)NC3=NC=CN3InChIKey: NDFYRGCPDAFQDG-UHFFFAOYSA-NInChI: 1S/C12H13N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-5H,6-7H2,1H3,(H2,13,14,15)
