General Information of the Compound
| Compound ID |
CP0327620
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| Compound Name |
N-[3-chloro-4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-(3-nitropyridin-2-yl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H22ClN7O3
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| Molecular Weight |
455.906
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1ccc(NC(=O)C2CCN(CC2)c2ncccc2[N+]([O-])=O)cc1Cl
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| InChI |
InChI=1S/C21H22ClN7O3/c1-13-24-14(2)28(26-13)18-6-5-16(12-17(18)22)25-21(30)15-7-10-27(11-8-15)20-19(29(31)32)4-3-9-23-20/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,25,30)
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| InChIKey |
XIQZVOIOKPUAIH-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