General Information of the Compound
| Compound ID |
CP0549732
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| Compound Name |
2-[1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonylpiperidin-4-yl]ethanol
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| Formula |
C25H25Cl2F3N2O4S
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| Molecular Weight |
577.452
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| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC(CCO)CC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C25H25Cl2F3N2O4S/c1-15-13-19(25(28,29)30)17-3-2-4-21(24(17)31-15)36-14-18-20(26)5-6-22(23(18)27)37(34,35)32-10-7-16(8-11-32)9-12-33/h2-6,13,16,33H,7-12,14H2,1H3
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| InChIKey |
UDICNFPJZQQWKF-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