General Information of the Compound
| Compound ID |
CP0965421
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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]pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C36H40N6O3
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| Molecular Weight |
604.755
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)N4CCCC4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C36H40N6O3/c1-2-9-32(43)38-29-19-17-26(18-20-29)25-13-15-27(16-14-25)30-24-37-34(39-30)31-12-8-23-42(31)35(44)33(28-10-4-3-5-11-28)40-36(45)41-21-6-7-22-41/h3-5,10-11,13-20,24,31,33H,2,6-9,12,21-23H2,1H3,(H,37,39)(H,38,43)(H,40,45)/t31-,33+/m0/s1
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| InChIKey |
MTNRKFVUNIKNCY-CQTOTRCISA-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