General Information of the Compound
| Compound ID |
CP0256824
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| Compound Name |
2-(5-((3-(3-methyl-8-(trifluoromethyl)quinolin-4-yl)phenyl)methylamino)naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C30H23F3N2O2
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| Molecular Weight |
500.52
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| Canonical SMILES |
Cc1cnc2c(cccc2c1-c1cccc(CNc2cccc3c(CC(O)=O)cccc23)c1)C(F)(F)F
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| InChI |
InChI=1S/C30H23F3N2O2/c1-18-16-35-29-24(11-4-12-25(29)30(31,32)33)28(18)21-8-2-6-19(14-21)17-34-26-13-5-9-22-20(15-27(36)37)7-3-10-23(22)26/h2-14,16,34H,15,17H2,1H3,(H,36,37)
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| InChIKey |
OHDRXCKGYPYQAU-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