General Information of the Compound
| Compound ID |
CP0568970
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| Compound Name |
2-chloro-N-[2-(4-methylphenyl)benzotriazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C20H14ClN5O3
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| Molecular Weight |
407.817
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)cc2n1
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| InChI |
InChI=1S/C20H14ClN5O3/c1-12-2-5-14(6-3-12)25-23-18-9-4-13(10-19(18)24-25)22-20(27)16-11-15(26(28)29)7-8-17(16)21/h2-11H,1H3,(H,22,27)
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| InChIKey |
XGSIQFITHSRNIR-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