General Information of the Compound
| Compound ID |
CP0960328
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| Compound Name |
3-((1R,2S)-2-((S)-4-(4-Cyanophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclohexylcarbamoyl)benzoic acid
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| Structure |
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| Formula |
C29H33N3O5
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| Molecular Weight |
503.599
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| Canonical SMILES |
CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)c2cccc(C(=O)O)c2)CC[C@]1(O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C29H33N3O5/c1-28(2)18-32(15-14-29(28,37)22-12-10-19(17-30)11-13-22)26(34)23-8-3-4-9-24(23)31-25(33)20-6-5-7-21(16-20)27(35)36/h5-7,10-13,16,23-24,37H,3-4,8-9,14-15,18H2,1-2H3,(H,31,33)(H,35,36)/t23-,24+,29-/m0/s1
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| InChIKey |
AVMIWDUYGLEEJV-IRYADYCUSA-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