General Information of the Compound
| Compound ID |
CP0377966
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| Compound Name |
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-tert-butyl-cyclohexyl)-amide
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| Formula |
C20H31ClN4O
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| Molecular Weight |
378.948
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)NC(=O)N1CCN(CC1)c1ncccc1Cl
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| InChI |
InChI=1S/C20H31ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-5,10,15-16H,6-9,11-14H2,1-3H3,(H,23,26)/t15-,16-
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| InChIKey |
OYWBBTWPTZBRPZ-WKILWMFISA-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