小分子和化合物库
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IMD 0354,IKKβ抑制剂分子式: C15H8ClF6NO2 分子量: 383.67IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OInChIKey: CHILCFMQWMQVAL-UHFFFAOYSA-NInChI: InChI=1S/C15H8ClF6NO2/c16-9-1-2-12(24)11(6-9)13(25)23-10-4-7(14(17,18)19)3-8(5-10)15(20,21)22/h1-6,24H,(H,23,25)
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Ro 0437626,P2X1拮抗剂CAS号 : 134362-79-1 Compound CID : 11663667分子式: C27H35N5O4S 分子量: 525.66IUPAC Name: N-[(2R)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1H-benzimidazole-2-carboxamideSMILES: C1CCC(CC1)CC(C(C(C2CC2)O)O)NC(=O)C(CC3=CSC=N3)NC(=O)C4=NC5=CC=CC=C5N4InChIKey: JHRSGCIIDRWHCD-UARRHKHWSA-NInChI: InChI=1S/C27H35N5O4S/c33-23(17-10-11-17)24(34)21(12-16-6-2-1-3-7-16)31-26(35)22(13-18-14-37-15-28-18)32-27(36)25-29-19-8-4-5-9-20(19)30-25/h4-5,8-9,14-17,21-24,33-34H,1-3,6-7,10-13H2,(H,29,30)(H,31,35)(H,32,36)/t21-,22+,23-,24+/m0/s1
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NF 449,P2X1拮抗剂CAS号 : 627034-85-9 Compound CID : 6093161分子式: C41H24N6Na8O29S8 分子量: 1505.06IUPAC Name: octasodium;4-[[3-[[3,5-bis[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]-5-[(2,4-disulfonatophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonateSMILES: C1=CC(=C(C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C2=CC(=CC(=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC5=C(C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]InChIKey: KCBZSNWCUJBMHF-UHFFFAOYSA-FInChI: InChI=1S/C41H32N6O29S8.8Na/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76;;;;;;;;/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;;;/q;8*+1/p-8
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羟布宗分子式: C19H20N2O3 分子量: 324.37IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dioneSMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-NInChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
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IMD 0354CAS号 : 978-62-1(DMSO)分子式: C15H8ClF6NO2 分子量: 383.67SMILES: OC1=C(C=C(Cl)C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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吲哚美辛CAS号 : 53-86-1(DMSO)分子式: C19H16ClNO4 分子量: 357.79SMILES: COC1=CC=C2[N](C(=C(CC(O)=O)C2=C1)C)C(=O)C3=CC=C(Cl)C=C3
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