General Information of the Compound
| Compound ID |
CP0395164
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| Compound Name |
Benzoic acid 4-[(S)-2-tert-butylcarbamoyl-2-((S)-4-methyl-2-methylamino-pentanoylamino)-ethyl]-phenyl ester
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| Structure |
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| Formula |
C27H37N3O4
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| Molecular Weight |
467.61
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| Canonical SMILES |
CN[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C27H37N3O4/c1-18(2)16-22(28-6)24(31)29-23(25(32)30-27(3,4)5)17-19-12-14-21(15-13-19)34-26(33)20-10-8-7-9-11-20/h7-15,18,22-23,28H,16-17H2,1-6H3,(H,29,31)(H,30,32)/t22-,23-/m0/s1
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| InChIKey |
CTYGCVSPGNTSPX-GOTSBHOMSA-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