General Information of the Compound
| Compound ID |
CP0961296
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| Compound Name |
(1R,3R)-3-Acetamido-N-((R)-4-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-4-oxobutan-2-yl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C25H36ClN3O4
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| Molecular Weight |
478.033
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| Canonical SMILES |
CC(=O)N[C@@H]1CC[C@@H](C(=O)N[C@H](C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)C1
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| InChI |
InChI=1S/C25H36ClN3O4/c1-16(27-23(32)18-5-10-21(14-18)28-17(2)30)13-22(31)29-12-11-25(33,24(3,4)15-29)19-6-8-20(26)9-7-19/h6-9,16,18,21,33H,5,10-15H2,1-4H3,(H,27,32)(H,28,30)/t16-,18-,21-,25+/m1/s1
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| InChIKey |
ZDJYWQCDNKSYCH-JEYXGXKBSA-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