General Information of the Compound
| Compound ID |
CP0487448
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| Compound Name |
[(2S)-1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
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| Formula |
C23H21Cl2F3N2O4S
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| Molecular Weight |
549.398
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| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCC[C@H]3CO)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C23H21Cl2F3N2O4S/c1-13-10-17(23(26,27)28)15-5-2-6-19(22(15)29-13)34-12-16-18(24)7-8-20(21(16)25)35(32,33)30-9-3-4-14(30)11-31/h2,5-8,10,14,31H,3-4,9,11-12H2,1H3/t14-/m0/s1
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| InChIKey |
VFQOFULVYSRURQ-AWEZNQCLSA-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