General Information of the Compound
| Compound ID |
CP0432604
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| Compound Name |
prop-2-ynyl N-[4-chloro-3-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]carbamate
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| Structure |
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| Formula |
C19H13ClF3N3O2
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| Molecular Weight |
407.779
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| Canonical SMILES |
Cn1c(nc2cc(ccc12)C(F)(F)F)-c1cc(NC(=O)OCC#C)ccc1Cl
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| InChI |
InChI=1S/C19H13ClF3N3O2/c1-3-8-28-18(27)24-12-5-6-14(20)13(10-12)17-25-15-9-11(19(21,22)23)4-7-16(15)26(17)2/h1,4-7,9-10H,8H2,2H3,(H,24,27)
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| InChIKey |
ZQXIYYSZGQTCOJ-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