General Information of the Compound
| Compound ID |
CP0537639
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(2-methyl-4-phenylmethoxyquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C30H29Cl2N3O5S
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| Molecular Weight |
614.551
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(OCc4ccccc4)cc(C)nc23)c1Cl
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| InChI |
InChI=1S/C30H29Cl2N3O5S/c1-19-16-26(39-17-20-8-4-3-5-9-20)21-10-6-12-25(29(21)34-19)40-18-22-23(31)13-14-27(28(22)32)41(37,38)35-15-7-11-24(35)30(36)33-2/h3-6,8-10,12-14,16,24H,7,11,15,17-18H2,1-2H3,(H,33,36)/t24-/m0/s1
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| InChIKey |
ILAIYSPMVODAGP-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