General Information of the Compound
| Compound ID |
CP0496433
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| Compound Name |
Benzoic acid 4-{(S)-2-tert-butoxycarbonyl-2-[(S)-4-methyl-2-(3-methyl-butylamino)-pentanoylamino]-ethyl}-phenyl ester
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| Structure |
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| Formula |
C31H44N2O5
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| Molecular Weight |
524.702
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| Canonical SMILES |
CC(C)CCN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H44N2O5/c1-21(2)17-18-32-26(19-22(3)4)28(34)33-27(30(36)38-31(5,6)7)20-23-13-15-25(16-14-23)37-29(35)24-11-9-8-10-12-24/h8-16,21-22,26-27,32H,17-20H2,1-7H3,(H,33,34)/t26-,27-/m0/s1
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| InChIKey |
UELKUDQFDGWQCV-SVBPBHIXSA-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