General Information of the Compound
| Compound ID |
CP0569818
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| Compound Name |
N-(3-bromophenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C14H11BrN6O3
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| Molecular Weight |
391.185
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| Canonical SMILES |
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2cccc(Br)c2)c1
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| InChI |
InChI=1S/C14H11BrN6O3/c15-10-2-1-3-11(6-10)17-14(22)13-4-5-19(18-13)9-20-8-12(7-16-20)21(23)24/h1-8H,9H2,(H,17,22)
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| InChIKey |
SOTGASJAMHPBSM-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