General Information of the Compound
| Compound ID |
CP0576049
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| Compound Name |
2-chloro-5-cyano-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
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| Structure |
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| Formula |
C23H16ClN3O2
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| Molecular Weight |
401.853
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| Canonical SMILES |
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)C#N)ccc2o1
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| InChI |
InChI=1S/C23H16ClN3O2/c1-2-14-3-6-16(7-4-14)23-27-20-12-17(8-10-21(20)29-23)26-22(28)18-11-15(13-25)5-9-19(18)24/h3-12H,2H2,1H3,(H,26,28)
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| InChIKey |
RJMOMHQUHNNXHP-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