General Information of the Compound
| Compound ID |
CP0904638
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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]-7-phenyl-heptanamide
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| Structure |
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| Formula |
C44H49N5O3
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| Molecular Weight |
695.908
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)CCCCCCc4ccccc4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C44H49N5O3/c1-2-14-40(50)46-37-28-26-34(27-29-37)33-22-24-35(25-23-33)38-31-45-43(47-38)39-20-13-30-49(39)44(52)42(36-18-10-6-11-19-36)48-41(51)21-12-4-3-7-15-32-16-8-5-9-17-32/h5-6,8-11,16-19,22-29,31,39,42H,2-4,7,12-15,20-21,30H2,1H3,(H,45,47)(H,46,50)(H,48,51)/t39-,42+/m0/s1
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| InChIKey |
BKXQUENDOYMIFO-KWLHKINFSA-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