小分子和化合物库
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DH 97CAS号 : 343263-95-6 Compound CID : 3467177分子式: C22H26N2O 分子量: 334.46IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamideSMILES: CCCCC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3InChIKey: HDOIPCLEKCEANF-UHFFFAOYSA-NInChI: InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
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阿戈美拉汀CAS号 : 138112-76-2 Compound CID : 82148分子式: C15H17NO2 分子量: 243.3IUPAC Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCInChIKey: YJYPHIXNFHFHND-UHFFFAOYSA-NInChI: InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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N-乙酰基-2-苄基色胺CAS号 : 117946-91-5 Compound CID : 122162分子式: C19H20N2O 分子量: 292.37IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=C(NC2=CC=CC=C21)CC3=CC=CC=C3InChIKey: WVVXBPKOIZGVNS-UHFFFAOYSA-NInChI: InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)
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褪黑素分子式: C13H16N2O2 分子量: 232.28IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-NInChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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雷美替胺CAS号 : 196597-26-9 Compound CID : 208902分子式: C16H21NO2 分子量: 259.34IUPAC Name: N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamideSMILES: CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3InChIKey: YLXDSYKOBKBWJQ-LBPRGKRZSA-NInChI: InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
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钙离子载体 A23187CAS号 : 52665-69-7 Compound CID : 11957499分子式: C29H37N3O6 分子量: 523.62IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acidSMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NCInChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-NInChI: InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-,17-,18-,22-,27+,29+/m1/s1
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6-羟基褪黑激素分子式: C13H16N2O3 分子量: 248.28IUPAC Name: N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)OInChIKey: OMYMRCXOJJZYKE-UHFFFAOYSA-NInChI: InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
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他司美琼CAS号 : 609799-22-6 Compound CID : 10220503分子式: C15H19NO2 分子量: 245.322IUPAC Name: N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamideSMILES: CCC(=O)NCC1CC1C2=C3CCOC3=CC=C2InChIKey: PTOIAAWZLUQTIO-GXFFZTMASA-NInChI: InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1
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4-P-PDOT,MT 2褪黑激素受体拮抗剂CAS号 : 134865-74-0 Compound CID : 3976006分子式: C19H21NO 分子量: 279.38IUPAC Name: N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamideSMILES: CCC(=O)NC1CC(C2=CC=CC=C2C1)C3=CC=CC=C3InChIKey: RCYLUNPFECYGDW-UHFFFAOYSA-NInChI: InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
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