General Information of the Compound
| Compound ID |
CP0537638
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(2-propan-2-yl-4-pyridin-4-ylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Formula |
C30H30Cl2N4O4S
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| Molecular Weight |
613.567
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(nc23)C(C)C)-c2ccncc2)c1Cl
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| InChI |
InChI=1S/C30H30Cl2N4O4S/c1-18(2)24-16-21(19-11-13-34-14-12-19)20-6-4-8-26(29(20)35-24)40-17-22-23(31)9-10-27(28(22)32)41(38,39)36-15-5-7-25(36)30(37)33-3/h4,6,8-14,16,18,25H,5,7,15,17H2,1-3H3,(H,33,37)/t25-/m0/s1
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| InChIKey |
GIGKPRNBCBVRHI-VWLOTQADSA-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