General Information of the Compound
| Compound ID |
CP0402882
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| Compound Name |
1-[4-Chloro-3-(5-chloro-benzooxazol-2-yl)-phenyl]-3-prop-2-ynyl-urea
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| Structure |
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| Formula |
C17H11Cl2N3O2
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| Molecular Weight |
360.2
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| Canonical SMILES |
Clc1ccc2oc(nc2c1)-c1cc(NC(=O)NCC#C)ccc1Cl
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| InChI |
InChI=1S/C17H11Cl2N3O2/c1-2-7-20-17(23)21-11-4-5-13(19)12(9-11)16-22-14-8-10(18)3-6-15(14)24-16/h1,3-6,8-9H,7H2,(H2,20,21,23)
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| InChIKey |
BQCDJBXIEHIQOC-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