General Information of the Compound
| Compound ID |
CP0867439
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| Compound Name |
benzyl N-[(3R)-1-[[(1R)-2-[(2S)-2-[4-[4-[4-[(4-methoxypiperidine-1-carbonyl)amino]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamoyl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C47H52N8O6
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| Molecular Weight |
824.983
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| Canonical SMILES |
COC1CCN(C(=O)Nc2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](NC(=O)N5CC[C@@H](NC(=O)OCc6ccccc6)C5)c5ccccc5)n4)cc3)cc2)CC1
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| InChI |
InChI=1S/C47H52N8O6/c1-60-39-23-27-53(28-24-39)45(57)49-37-20-18-34(19-21-37)33-14-16-35(17-15-33)40-29-48-43(51-40)41-13-8-25-55(41)44(56)42(36-11-6-3-7-12-36)52-46(58)54-26-22-38(30-54)50-47(59)61-31-32-9-4-2-5-10-32/h2-7,9-12,14-21,29,38-39,41-42H,8,13,22-28,30-31H2,1H3,(H,48,51)(H,49,57)(H,50,59)(H,52,58)/t38-,41+,42-/m1/s1
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| InChIKey |
XFKWGSIYZFJIRL-JIEFWVTHSA-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