General Information of the Compound
| Compound ID |
CP0463819
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| Compound Name |
methyl N-[4-chloro-3-(1,5-dimethylbenzimidazol-2-yl)phenyl]carbamate
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| Structure |
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| Formula |
C17H16ClN3O2
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| Molecular Weight |
329.787
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| Canonical SMILES |
COC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(C)ccc2n1C
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| InChI |
InChI=1S/C17H16ClN3O2/c1-10-4-7-15-14(8-10)20-16(21(15)2)12-9-11(5-6-13(12)18)19-17(22)23-3/h4-9H,1-3H3,(H,19,22)
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| InChIKey |
GFFYBPUGWWALKZ-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