General Information of the Compound
| Compound ID |
CP0495186
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| Compound Name |
[3-[7-chloro-6-(1-methylpyrazol-4-yl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-3-yl]phenyl]methanol
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| Structure |
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| Formula |
C27H29ClN4O2
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| Molecular Weight |
477.008
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| Canonical SMILES |
Cn1cc(cn1)-c1cc2c(OCC[C@H]3CCCCN3)c(cnc2cc1Cl)-c1cccc(CO)c1
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| InChI |
InChI=1S/C27H29ClN4O2/c1-32-16-20(14-31-32)22-12-23-26(13-25(22)28)30-15-24(19-6-4-5-18(11-19)17-33)27(23)34-10-8-21-7-2-3-9-29-21/h4-6,11-16,21,29,33H,2-3,7-10,17H2,1H3/t21-/m1/s1
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| InChIKey |
VQEDLQGAGVLAFF-OAQYLSRUSA-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