General Information of the Compound
| Compound ID |
CP0452943
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| Compound Name |
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-cyanoacetamide
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| Structure |
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| Formula |
C16H9Cl2N3O2
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| Molecular Weight |
346.173
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| Canonical SMILES |
Clc1ccc2oc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
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| InChI |
InChI=1S/C16H9Cl2N3O2/c17-9-1-4-14-13(7-9)21-16(23-14)11-8-10(2-3-12(11)18)20-15(22)5-6-19/h1-4,7-8H,5H2,(H,20,22)
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| InChIKey |
NPYUCZYMUQVUOU-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