General Information of the Compound
| Compound ID |
CP0957886
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| Compound Name |
methyl N-[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
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| Structure |
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| Formula |
C33H35N5O4
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| Molecular Weight |
565.674
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C33H35N5O4/c1-3-8-29(39)35-26-18-16-23(17-19-26)22-12-14-24(15-13-22)27-21-34-31(36-27)28-11-7-20-38(28)32(40)30(37-33(41)42-2)25-9-5-4-6-10-25/h4-6,9-10,12-19,21,28,30H,3,7-8,11,20H2,1-2H3,(H,34,36)(H,35,39)(H,37,41)/t28-,30+/m0/s1
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| InChIKey |
NOMXRDMSLSIYJT-MFMCTBQISA-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