General Information of the Compound
| Compound ID |
CP0449350
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| Compound Name |
4-methyl-3-{[7-(pyridin-2-yl)quinolin-4-yl]amino}phenol
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| Structure |
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| Formula |
C21H17N3O
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| Molecular Weight |
327.387
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| Canonical SMILES |
Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1ccccn1
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| InChI |
InChI=1S/C21H17N3O/c1-14-5-7-16(25)13-20(14)24-19-9-11-23-21-12-15(6-8-17(19)21)18-4-2-3-10-22-18/h2-13,25H,1H3,(H,23,24)
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| InChIKey |
BKDBTNDUTIFYHL-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