General Information of the Compound
| Compound ID |
CP0470555
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[4-methyl-1-(3-methyl-butyl)-piperazine-2-carbonyl]-amino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C31H43N3O5
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| Molecular Weight |
537.701
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| Canonical SMILES |
CC(C)CCN1CCN(C)CC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H43N3O5/c1-22(2)16-17-34-19-18-33(6)21-27(34)28(35)32-26(30(37)39-31(3,4)5)20-23-12-14-25(15-13-23)38-29(36)24-10-8-7-9-11-24/h7-15,22,26-27H,16-21H2,1-6H3,(H,32,35)/t26-,27?/m0/s1
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| InChIKey |
YCZLRPWCDVKCFZ-QBHOUYDASA-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