General Information of the Compound
| Compound ID |
CP0930995
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| Compound Name |
benzyl N-[4-[[(1R)-2-[(2S)-2-[4-[4-[4-[(4-methoxycyclohexanecarbonyl)amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]amino]-4-oxo-butyl]carbamate
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| Structure |
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| Formula |
C47H52N6O6
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| Molecular Weight |
796.969
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| Canonical SMILES |
COC1CCC(C(=O)Nc2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)CCCNC(=O)OCc5ccccc5)c5ccccc5)n4)cc3)cc2)CC1
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| InChI |
InChI=1S/C47H52N6O6/c1-58-39-26-22-37(23-27-39)45(55)50-38-24-20-34(21-25-38)33-16-18-35(19-17-33)40-30-49-44(51-40)41-14-9-29-53(41)46(56)43(36-12-6-3-7-13-36)52-42(54)15-8-28-48-47(57)59-31-32-10-4-2-5-11-32/h2-7,10-13,16-21,24-25,30,37,39,41,43H,8-9,14-15,22-23,26-29,31H2,1H3,(H,48,57)(H,49,51)(H,50,55)(H,52,54)/t37?,39?,41-,43+/m0/s1
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| InChIKey |
FEIATTMFTJBJAJ-CEADGWETSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound