General Information of the Compound
| Compound ID |
CP0457111
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| Compound Name |
prop-2-ynyl N-[4-chloro-3-(5-chloro-1,3-benzothiazol-2-yl)phenyl]carbamate
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| Structure |
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| Formula |
C17H10Cl2N2O2S
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| Molecular Weight |
377.252
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| Canonical SMILES |
Clc1ccc2sc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
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| InChI |
InChI=1S/C17H10Cl2N2O2S/c1-2-7-23-17(22)20-11-4-5-13(19)12(9-11)16-21-14-8-10(18)3-6-15(14)24-16/h1,3-6,8-9H,7H2,(H,20,22)
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| InChIKey |
GHNVVDAQSLCEMR-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