General Information of the Compound
| Compound ID |
CP0449004
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| Compound Name |
4-[4-Chloro-3-(5-methyl-benzooxazol-2-yl)-phenylamino]-butyronitrile
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| Structure |
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| Formula |
C18H16ClN3O
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| Molecular Weight |
325.799
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| Canonical SMILES |
Cc1ccc2oc(nc2c1)-c1cc(NCCCC#N)ccc1Cl
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| InChI |
InChI=1S/C18H16ClN3O/c1-12-4-7-17-16(10-12)22-18(23-17)14-11-13(5-6-15(14)19)21-9-3-2-8-20/h4-7,10-11,21H,2-3,9H2,1H3
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| InChIKey |
BYPAAOYZTJCFAE-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