General Information of the Compound
| Compound ID |
CP0869556
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| Compound Name |
N-((S)-2-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)-3-methylbutyl)-2-phenylacetamide
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| Structure |
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| Formula |
C27H35ClN2O3
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| Molecular Weight |
471.041
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| Canonical SMILES |
CC(C)[C@@H](CNC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C27H35ClN2O3/c1-19(2)23(17-29-24(31)16-20-8-6-5-7-9-20)25(32)30-15-14-27(33,26(3,4)18-30)21-10-12-22(28)13-11-21/h5-13,19,23,33H,14-18H2,1-4H3,(H,29,31)/t23-,27+/m1/s1
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| InChIKey |
JNVKNKQYHMBAGQ-KCWPFWIISA-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