General Information of the Compound
| Compound ID |
CP0957885
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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]benzamide
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| Structure |
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| Formula |
C38H37N5O3
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| Molecular Weight |
611.746
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)c4ccccc4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C38H37N5O3/c1-2-10-34(44)40-31-22-20-27(21-23-31)26-16-18-28(19-17-26)32-25-39-36(41-32)33-15-9-24-43(33)38(46)35(29-11-5-3-6-12-29)42-37(45)30-13-7-4-8-14-30/h3-8,11-14,16-23,25,33,35H,2,9-10,15,24H2,1H3,(H,39,41)(H,40,44)(H,42,45)/t33-,35+/m0/s1
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| InChIKey |
ABWINEVQZKCRFZ-QWOOXDRHSA-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