General Information of the Compound
| Compound ID |
CP0439570
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-[(4-phenyl-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl)formamido]butanoic acid
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| Structure |
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| Formula |
C31H37N3O5
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| Molecular Weight |
531.653
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C31H37N3O5/c1-18-15-19(2)26(20(3)16-18)34-30(38)32-25-17-23(22-11-9-8-10-12-22)13-14-24(25)28(35)33-27(29(36)37)21(4)39-31(5,6)7/h8-17,21,27H,1-7H3,(H,33,35)(H,36,37)(H2,32,34,38)/t21-,27+/m1/s1
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| InChIKey |
LKBNLSFEFYTSCW-ZBLYBZFDSA-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