小分子和化合物库
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茉莉花内酯CAS号: 102396-24-7分子式: C36H45BrN4O6 分子量: 709.67IUPAC Name: (4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetroneSMILES: CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)CInChIKey: GQWYWHOHRVVHAP-DHKPLNAMSA-NInChI: See more
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蒜藜芦碱分子式: C27H39NO3 分子量: 425.6IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-oneSMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1InChIKey: CLEXYFLHGFJONT-DNMILWOZSA-NInChI: See more
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肯帕罗酮CAS号: 142273-20-9分子式: C16H11BrN2O 分子量: 327.18IUPAC Name: 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-oneSMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)BrInChIKey: QQUXFYAWXPMDOE-UHFFFAOYSA-NInChI: 1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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K-252a,蛋白质和CAM激酶抑制剂CAS号: 99533-80-9分子式: C27H21N3O5 分子量: 467.47IUPAC Name: methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylateSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)OInChIKey: KOZFSFOOLUUIGY-SOLYNIJKSA-NInChI: 1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
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K252b,蛋白激酶抑制剂CAS号: 99570-78-2分子式: C26H19N3O5 分子量: 453.5IUPAC Name: (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acidSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)OInChIKey: AMSOPBXQXSAAAC-PLZPTFKGSA-NInChI: 1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1
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KT5720,蛋白激酶A抑制剂CAS号: 108068-98-0分子式: C32H31N3O5 分子量: 537.6IUPAC Name: hexyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylateSMILES: CCCCCCOC(=O)C1(CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)C1(O2)C)CNC6=O)OInChIKey: ZHEHVZXPFVXKEY-RUAOOFDTSA-NInChI: See more
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KT5823,PKG抑制剂CAS号: 126643-37-6分子式: C29H25N3O5 分子量: 495.5IUPAC Name: methyl (15S,16R,18R)-16-methoxy-4,15-dimethyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylateSMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CN(C6=O)C)(C(=O)OC)OCInChIKey: QTYMDECKVKSGSM-YMUMJAELSA-NInChI: 1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20-,28+,29+/m1/s1
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LevitideCAS号: 114281-19-5 Compound CID : 3082686分子式: C66H119N21O19S 分子量: 1542.85IUPAC Name: See moreSMILES: CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CCSC)NC(=O)CNC(=O)C1CCC(=O)N1InChIKey: LDCPZBREJGHLQM-MUFHBRNXSA-NInChI: See more
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2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷CAS号: 16321-99-6分子式: C16H18ClN5O7 分子量: 427.8IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetateSMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)CInChIKey: HLVGVJFVAKPFOZ-SDBHATRESA-NInChI: 1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1
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