General Information of the Compound
| Compound ID |
CP0450657
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| Compound Name |
4-[3-chloro-4-(2,6-dimethylpyridin-3-yl)oxyphenyl]-1-(cyclopropylmethyl)-2-oxopyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H20ClN3O2
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| Molecular Weight |
405.885
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| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2Cl)-c2ccn(CC3CC3)c(=O)c2C#N)c(C)n1
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| InChI |
InChI=1S/C23H20ClN3O2/c1-14-3-7-21(15(2)26-14)29-22-8-6-17(11-20(22)24)18-9-10-27(13-16-4-5-16)23(28)19(18)12-25/h3,6-11,16H,4-5,13H2,1-2H3
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| InChIKey |
WCDMWTMQRKCCFV-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