General Information of the Compound
| Compound ID |
CP0867222
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| Compound Name |
N-[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]-4-phenyl-butanamide
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| Structure |
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| Formula |
C41H43N5O3
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| Molecular Weight |
653.827
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)CCCc4ccccc4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C41H43N5O3/c1-2-11-37(47)43-34-25-23-31(24-26-34)30-19-21-32(22-20-30)35-28-42-40(44-35)36-17-10-27-46(36)41(49)39(33-15-7-4-8-16-33)45-38(48)18-9-14-29-12-5-3-6-13-29/h3-8,12-13,15-16,19-26,28,36,39H,2,9-11,14,17-18,27H2,1H3,(H,42,44)(H,43,47)(H,45,48)/t36-,39+/m0/s1
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| InChIKey |
WZRSGRDIQGTISA-YFXFWNCGSA-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