General Information of the Compound
| Compound ID |
CP0487450
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| Compound Name |
(2S)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H25Cl2N5O4S
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| Molecular Weight |
574.49
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| Canonical SMILES |
CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)-n2ccnc2)c1Cl
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| InChI |
InChI=1S/C26H25Cl2N5O4S/c1-16-13-21(32-12-10-30-15-32)17-5-3-7-22(25(17)31-16)37-14-18-19(27)8-9-23(24(18)28)38(35,36)33-11-4-6-20(33)26(34)29-2/h3,5,7-10,12-13,15,20H,4,6,11,14H2,1-2H3,(H,29,34)/t20-/m0/s1
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| InChIKey |
NODLHZFRDVYILE-FQEVSTJZSA-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