General Information of the Compound
| Compound ID |
CP0499195
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| Compound Name |
[3-[3-[3-(hydroxymethyl)phenyl]-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinolin-6-yl]phenyl]methanol
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| Structure |
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| Formula |
C30H32N2O3
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| Molecular Weight |
468.597
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| Canonical SMILES |
OCc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)c(OCC[C@H]3CCCCN3)c2c1
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| InChI |
InChI=1S/C30H32N2O3/c33-19-21-5-3-7-23(15-21)24-10-11-29-27(17-24)30(35-14-12-26-9-1-2-13-31-26)28(18-32-29)25-8-4-6-22(16-25)20-34/h3-8,10-11,15-18,26,31,33-34H,1-2,9,12-14,19-20H2/t26-/m1/s1
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| InChIKey |
OOTRQDZCGATELV-AREMUKBSSA-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