General Information of the Compound
| Compound ID |
CP0903135
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| Compound Name |
tert-butyl (1R,3R)-3-((R)-4-((S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-4-oxobutan-2-ylcarbamoyl)cyclopentylcarbamate
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| Structure |
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| Formula |
C28H42ClN3O5
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| Molecular Weight |
536.113
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| Canonical SMILES |
C[C@H](CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1
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| InChI |
InChI=1S/C28H42ClN3O5/c1-18(30-24(34)19-7-12-22(16-19)31-25(35)37-26(2,3)4)15-23(33)32-14-13-28(36,27(5,6)17-32)20-8-10-21(29)11-9-20/h8-11,18-19,22,36H,7,12-17H2,1-6H3,(H,30,34)(H,31,35)/t18-,19-,22-,28+/m1/s1
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| InChIKey |
WWFCRINFUNGTHE-PLKUDNNMSA-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