General Information of the Compound
| Compound ID |
CP0573912
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| Compound Name |
N-(3,4-dichlorophenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C14H10Cl2N6O3
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| Molecular Weight |
381.179
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| Canonical SMILES |
[O-][N+](=O)c1cnn(Cn2ccc(n2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
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| InChI |
InChI=1S/C14H10Cl2N6O3/c15-11-2-1-9(5-12(11)16)18-14(23)13-3-4-20(19-13)8-21-7-10(6-17-21)22(24)25/h1-7H,8H2,(H,18,23)
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| InChIKey |
UYDLUUXRPMUYAP-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