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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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WZ811CAS号 : 55778-02-4(DMSO)分子式: C18H18N4 分子量: 290.36SMILES: C(NC1=NC=CC=C1)C2=CC=C(CNC3=NC=CC=C3)C=C2
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莫替昔福特 （三氟乙酸盐）CAS号 : 664334-36-5(free base)分子式: C97H144FN33O19S2(free base) 分子量: 2159.52(free base)
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莫替昔福特(BL-8040)CAS号 : 664334-36-5 Compound CID : 91865076分子式: C97H144FN33O19S2 分子量: 2159.52IUPAC Name: (3S,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamideSMILES: C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C6=CC=C(C=C6)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)OInChIKey: JJVZSYKFCOBILL-MKMRYRNGSA-NInChI: InChI=1S/C97H144FN33O19S2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150)/t63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-/m0/s1
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(E)-1-(4'-Chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-oneCAS号 : 152809-69-3 Compound CID : 5708903分子式: C16H13ClO3 分子量: 288.72IUPAC Name: (E)-1-(4-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-oneSMILES: COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl)OInChIKey: KCTNGNPVURILGU-KRXBUXKQSA-NInChI: InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+
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KRH-3955 free baseCAS号 : 675135-77-0 Compound CID : 11950261分子式: C28H45N7 分子量: 479.7IUPAC Name: N-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]-N-methyl-N',N'-dipropylbutane-1,4-diamineSMILES: CCCN(CCC)CCCCN(C)CC1=CC=C(C=C1)CN(CC2=NC=CN2)CC3=NC=CN3CInChIKey: SHGBVICHXYKTGY-UHFFFAOYSA-NInChI: InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30)
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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)
