General Information of the Compound
| Compound ID |
CP0578904
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| Compound Name |
1-[(4-nitropyrazol-1-yl)methyl]-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
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| Formula |
C17H18N6O3
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| Molecular Weight |
354.37
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
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| InChI |
InChI=1S/C17H18N6O3/c1-12(2)13-3-5-14(6-4-13)19-17(24)16-7-8-21(20-16)11-22-10-15(9-18-22)23(25)26/h3-10,12H,11H2,1-2H3,(H,19,24)
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| InChIKey |
XCMLTQDSEDWCIW-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