General Information of the Compound
| Compound ID |
CP0461113
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| Compound Name |
Benzoic acid 4-[(S)-2-((S)-2-amino-4-methyl-pentanoylamino)-2-tert-butylcarbamoyl-ethyl]-phenyl ester
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| Structure |
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C26H35N3O4/c1-17(2)15-21(27)23(30)28-22(24(31)29-26(3,4)5)16-18-11-13-20(14-12-18)33-25(32)19-9-7-6-8-10-19/h6-14,17,21-22H,15-16,27H2,1-5H3,(H,28,30)(H,29,31)/t21-,22-/m0/s1
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| InChIKey |
MVEIMGJTABCVHV-VXKWHMMOSA-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