General Information of the Compound
| Compound ID |
CP0882223
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| Compound Name |
(S)-N-(4-(4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methyl-4-oxobutan-2-yl)-3-(1H-tetrazol-1-yl)benzamide
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| Structure |
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| Formula |
C26H31ClN6O3
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| Molecular Weight |
511.026
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| Canonical SMILES |
CC(C)(CC(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1cccc(-n2cnnn2)c1
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| InChI |
InChI=1S/C26H31ClN6O3/c1-24(2)16-32(13-12-26(24,36)19-8-10-20(27)11-9-19)22(34)15-25(3,4)29-23(35)18-6-5-7-21(14-18)33-17-28-30-31-33/h5-11,14,17,36H,12-13,15-16H2,1-4H3,(H,29,35)/t26-/m0/s1
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| InChIKey |
LKAQDYLOFPPLFP-SANMLTNESA-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