General Information of the Compound
| Compound ID |
CP0537635
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(4-phenylmethoxy-2-propan-2-ylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C32H33Cl2N3O5S
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| Molecular Weight |
642.605
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(OCc4ccccc4)cc(nc23)C(C)C)c1Cl
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| InChI |
InChI=1S/C32H33Cl2N3O5S/c1-20(2)25-17-28(41-18-21-9-5-4-6-10-21)22-11-7-13-27(31(22)36-25)42-19-23-24(33)14-15-29(30(23)34)43(39,40)37-16-8-12-26(37)32(38)35-3/h4-7,9-11,13-15,17,20,26H,8,12,16,18-19H2,1-3H3,(H,35,38)/t26-/m0/s1
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| InChIKey |
AJTCIXWDCVQABY-SANMLTNESA-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