General Information of the Compound
| Compound ID |
CP0537633
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(2-methyl-4-phenylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C29H27Cl2N3O4S
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| Molecular Weight |
584.525
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-c2ccccc2)c1Cl
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| InChI |
InChI=1S/C29H27Cl2N3O4S/c1-18-16-21(19-8-4-3-5-9-19)20-10-6-12-25(28(20)33-18)38-17-22-23(30)13-14-26(27(22)31)39(36,37)34-15-7-11-24(34)29(35)32-2/h3-6,8-10,12-14,16,24H,7,11,15,17H2,1-2H3,(H,32,35)/t24-/m0/s1
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| InChIKey |
XXFPOXWEQFIXBD-DEOSSOPVSA-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