General Information of the Compound
| Compound ID |
CP0011852
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| Compound Name |
(1S,3R)-3-acetamido-N-[5-chloro-4-(1,5-dimethylpyrazol-4-yl)pyridin-2-yl]cyclohexane-1-carboxamide
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| Formula |
C19H24ClN5O2
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| Molecular Weight |
389.887
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn(C)c2C)c(Cl)cn1
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| InChI |
InChI=1S/C19H24ClN5O2/c1-11-16(9-22-25(11)3)15-8-18(21-10-17(15)20)24-19(27)13-5-4-6-14(7-13)23-12(2)26/h8-10,13-14H,4-7H2,1-3H3,(H,23,26)(H,21,24,27)/t13-,14+/m0/s1
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| InChIKey |
JLFRFPIPIGBBMO-UONOGXRCSA-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