General Information of the Compound
| Compound ID |
CP0457576
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| Compound Name |
(3-amino-1-methylpyrazol-4-yl)-[3-(5-chloro-3-methylpyridin-2-yl)-3-methoxypiperidin-1-yl]methanone
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| Structure |
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| Formula |
C17H22ClN5O2
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| Molecular Weight |
363.849
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| Canonical SMILES |
COC1(CCCN(C1)C(=O)c1cn(C)nc1N)c1ncc(Cl)cc1C
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| InChI |
InChI=1S/C17H22ClN5O2/c1-11-7-12(18)8-20-14(11)17(25-3)5-4-6-23(10-17)16(24)13-9-22(2)21-15(13)19/h7-9H,4-6,10H2,1-3H3,(H2,19,21)
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| InChIKey |
QEFYFIUAJYQZIA-UHFFFAOYSA-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