General Information of the Compound
| Compound ID |
CP0436453
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| Compound Name |
4-[3-chloro-4-(2-methylpyridin-3-yl)oxyphenyl]-1-(cyclopropylmethyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H18ClN3O2
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| Molecular Weight |
391.858
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| Canonical SMILES |
Cc1ncccc1Oc1ccc(cc1Cl)-c1ccn(CC2CC2)c(=O)c1C#N
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| InChI |
InChI=1S/C22H18ClN3O2/c1-14-20(3-2-9-25-14)28-21-7-6-16(11-19(21)23)17-8-10-26(13-15-4-5-15)22(27)18(17)12-24/h2-3,6-11,15H,4-5,13H2,1H3
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| InChIKey |
IJSVOCRHXGMKSQ-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