General Information of the Compound
| Compound ID |
CP0576048
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| Compound Name |
2-chloro-N-[2-(4-ethylphenyl)-1-methylbenzimidazol-5-yl]-5-nitrobenzamide
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| Structure |
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| Formula |
C23H19ClN4O3
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| Molecular Weight |
434.883
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2n1C
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| InChI |
InChI=1S/C23H19ClN4O3/c1-3-14-4-6-15(7-5-14)22-26-20-12-16(8-11-21(20)27(22)2)25-23(29)18-13-17(28(30)31)9-10-19(18)24/h4-13H,3H2,1-2H3,(H,25,29)
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| InChIKey |
XRQPGICIGLQHJP-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