General Information of the Compound
| Compound ID |
CP0513633
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| Compound Name |
2-[5-[4-(benzylamino)-3-chloroquinolin-6-yl]pyrimidin-2-yl]propan-2-ol
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| Structure |
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| Formula |
C23H21ClN4O
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| Molecular Weight |
404.901
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| Canonical SMILES |
CC(C)(O)c1ncc(cn1)-c1ccc2ncc(Cl)c(NCc3ccccc3)c2c1
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| InChI |
InChI=1S/C23H21ClN4O/c1-23(2,29)22-27-12-17(13-28-22)16-8-9-20-18(10-16)21(19(24)14-25-20)26-11-15-6-4-3-5-7-15/h3-10,12-14,29H,11H2,1-2H3,(H,25,26)
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| InChIKey |
FXLAULVFKVZCMI-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