General Information of the Compound
| Compound ID |
CP0475954
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| Compound Name |
2-[2-methyl-3-[(2-naphthalen-1-ylphenyl)methyl]-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C27H24N2O3
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| Molecular Weight |
424.5
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| Canonical SMILES |
Cc1c(Cc2ccccc2-c2cccc3ccccc23)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C27H24N2O3/c1-17-23(26-24(13-14-28-27(26)32)29(17)16-25(30)31)15-19-8-3-5-11-21(19)22-12-6-9-18-7-2-4-10-20(18)22/h2-12H,13-16H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
GTEATHPHHSHMEH-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