General Information of the Compound
| Compound ID |
CP0487437
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| Compound Name |
(2R,6S)-4-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-2,6-dimethylmorpholine
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| Formula |
C24H23Cl2F3N2O4S
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| Molecular Weight |
563.425
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C24H23Cl2F3N2O4S/c1-13-9-18(24(27,28)29)16-5-4-6-20(23(16)30-13)34-12-17-19(25)7-8-21(22(17)26)36(32,33)31-10-14(2)35-15(3)11-31/h4-9,14-15H,10-12H2,1-3H3/t14-,15+
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| InChIKey |
ACRHHDXGVDIGOK-GASCZTMLSA-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