General Information of the Compound
| Compound ID |
CP0638665
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| Compound Name |
(1S,3R)-3-acetamido-N-(5-chloro-4-(5-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrazol-4-yl)pyridin-2-yl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C22H30ClN5O3
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| Molecular Weight |
447.967
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cn[nH]c3CC(C)(C)CO)c(Cl)cn2)C1
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| InChI |
InChI=1S/C22H30ClN5O3/c1-13(30)26-15-6-4-5-14(7-15)21(31)27-20-8-16(18(23)11-24-20)17-10-25-28-19(17)9-22(2,3)12-29/h8,10-11,14-15,29H,4-7,9,12H2,1-3H3,(H,25,28)(H,26,30)(H,24,27,31)/t14-,15+/m0/s1
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| InChIKey |
YJEYKYGHJYFILG-LSDHHAIUSA-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