小分子和化合物库
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碘化丙锭(PI)分子式: C27H34I2N4 分子量: 668.39IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodideSMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]InChIKey: XJMOSONTPMZWPB-UHFFFAOYSA-MInChI: 1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1
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4,4'-二苯胺基-1,1'-联萘-5,5'-二磺酸二钾盐CAS号: 65664-81-5分子式: C32H22K2N2O6S2 分子量: 672.85IUPAC Name: dipotassium;8-anilino-5-(4-anilino-5-sulfonatonaphthalen-1-yl)naphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[K+].[K+]InChIKey: VWLWTJHKQHRTNC-UHFFFAOYSA-LInChI: See more
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Triacsin C,来自链霉菌属CAS号: 76896-80-5 Compound CID : 9576787分子式: C11H17N3O 分子量: 207.27IUPAC Name: N-[(E)-[(2E,4E,7E)-undeca-2,4,7-trienylidene]amino]nitrous amideSMILES: CCCC=CCC=CC=CC=NNN=OInChIKey: NKTGCVUIESDXPU-YLEPRARLSA-NInChI: 1S/C11H17N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h4-5,7-11H,2-3,6H2,1H3,(H,13,15)/b5-4+,8-7+,10-9+,12-11+
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三庚酸甘油酯分子式: [CH3(CH2)5COOCH2]2CHOCO(CH2)5CH3 分子量: 428.6IUPAC Name: 2,3-di(heptanoyloxy)propyl heptanoateSMILES: CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCCInChIKey: PJHKBYALYHRYSK-UHFFFAOYSA-NInChI: 1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
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1-苄基-3-苯基硫脲CAS号: 726-25-0分子式: C14H14N2S 分子量: 242.34IUPAC Name: 1-benzyl-3-phenylthioureaSMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2InChIKey: NXCBDDGSOXJEFZ-UHFFFAOYSA-NInChI: 1S/C14H14N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16,17)
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2,6-二甲基苯胺盐酸盐CAS号: 21436-98-6分子式: C8H11N·HCl 分子量: 157.64IUPAC Name: 2,6-dimethylaniline;hydrochlorideSMILES: CC1=C(C(=CC=C1)C)N.ClInChIKey: QNWMFJDRMZWZNN-UHFFFAOYSA-NInChI: 1S/C8H11N.ClH/c1-6-4-3-5-7(2)8(6)9;/h3-5H,9H2,1-2H3;1H
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甲氯芬那酸钠分子式: C14H10Cl2NNaO2 分子量: 318.13IUPAC Name: sodium;2-(2,6-dichloro-3-methylanilino)benzoateSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]InChIKey: OGPIIGMUPMPMNT-UHFFFAOYSA-MInChI: 1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
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酪氨酸激酶抑制剂 AG 494CAS号: 133550-35-3 Compound CID : 5328771分子式: C16H12N2O3 分子量: 280.28IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamideSMILES: C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#NInChIKey: HKHOVJYOELRGMV-XYOKQWHBSA-NInChI: 1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
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6-叔-丁基-2,3-萘二甲腈CAS号: 32703-82-5分子式: C16H14N2 分子量: 234.3IUPAC Name: 6-tert-butylnaphthalene-2,3-dicarbonitrileSMILES: CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#NInChIKey: MKILROQBJOOZKC-UHFFFAOYSA-NInChI: 1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
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生物素-PEG4-酰肼CAS号: 756525-97-0分子式: C21H39N5O7S 分子量: 505.63IUPAC Name: N-[2-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamideSMILES: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NN)NC(=O)N2InChIKey: PSBJJOWIACLJAQ-UHFFFAOYSA-NInChI: 1S/C21H39N5O7S/c22-26-19(28)5-7-30-9-11-32-13-14-33-12-10-31-8-6-23-18(27)4-2-1-3-17-20-16(15-34-17)24-21(29)25-20/h16-17,20H,1-15,22H2,(H,23,27)(H,26,28)(H2,24,25,29)
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