General Information of the Compound
| Compound ID |
CP0012029
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| Compound Name |
(1S,3R)-3-acetamido-N-[5-chloro-4-(triazolo[1,5-a]pyridin-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide
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| Formula |
C20H21ClN6O2
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| Molecular Weight |
412.881
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| Canonical SMILES |
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2nnn3ccccc23)c(Cl)cn1
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| InChI |
InChI=1S/C20H21ClN6O2/c1-12(28)23-14-6-4-5-13(9-14)20(29)24-18-10-15(16(21)11-22-18)19-17-7-2-3-8-27(17)26-25-19/h2-3,7-8,10-11,13-14H,4-6,9H2,1H3,(H,23,28)(H,22,24,29)/t13-,14+/m0/s1
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| InChIKey |
KEMVWIFBROQSEE-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