General Information of the Compound
| Compound ID |
CP0433532
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| Compound Name |
2-(3-(7-chloroquinolin-4-yl)-2,6-dimethyl-1H-indol-1-yl)acetic acid
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| Structure |
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| Formula |
C21H17ClN2O2
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| Molecular Weight |
364.832
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| Canonical SMILES |
Cc1c(-c2ccnc3cc(Cl)ccc23)c2ccc(C)cc2n1CC(O)=O
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| InChI |
InChI=1S/C21H17ClN2O2/c1-12-3-5-17-19(9-12)24(11-20(25)26)13(2)21(17)16-7-8-23-18-10-14(22)4-6-15(16)18/h3-10H,11H2,1-2H3,(H,25,26)
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| InChIKey |
BBXFOTRWNRLFBT-UHFFFAOYSA-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