General Information of the Compound
| Compound ID |
CP0867223
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| Compound Name |
benzyl N-[3-[[(1R)-2-[(2S)-2-[4-[4-[4-(butanoylamino)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamoyl]phenyl]carbamate
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| Structure |
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| Formula |
C46H44N6O5
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| Molecular Weight |
760.895
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| Canonical SMILES |
CCCC(=O)Nc1ccc(-c2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@H](NC(=O)c4cccc(NC(=O)OCc5ccccc5)c4)c4ccccc4)n3)cc2)cc1
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| InChI |
InChI=1S/C46H44N6O5/c1-2-11-41(53)48-37-25-23-33(24-26-37)32-19-21-34(22-20-32)39-29-47-43(50-39)40-18-10-27-52(40)45(55)42(35-14-7-4-8-15-35)51-44(54)36-16-9-17-38(28-36)49-46(56)57-30-31-12-5-3-6-13-31/h3-9,12-17,19-26,28-29,40,42H,2,10-11,18,27,30H2,1H3,(H,47,50)(H,48,53)(H,49,56)(H,51,54)/t40-,42+/m0/s1
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| InChIKey |
TXYDASDSSQCXAM-DUAROTRBSA-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