General Information of the Compound
| Compound ID |
CP0420355
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[6-methyl-1-(3-methyl-butyl)-piperidine-2-carbonyl]-amino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C32H44N2O5
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| Molecular Weight |
536.713
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| Canonical SMILES |
CC(C)CCN1C(C)CCCC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C32H44N2O5/c1-22(2)19-20-34-23(3)11-10-14-28(34)29(35)33-27(31(37)39-32(4,5)6)21-24-15-17-26(18-16-24)38-30(36)25-12-8-7-9-13-25/h7-9,12-13,15-18,22-23,27-28H,10-11,14,19-21H2,1-6H3,(H,33,35)/t23?,27-,28?/m0/s1
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| InChIKey |
KQBOOGKXOGILHG-ZHAXYGCDSA-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