General Information of the Compound
| Compound ID |
CP0283177
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| Compound Name |
2-(2-benzoyl-7-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
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| Structure |
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| Formula |
C21H20N2O3
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| Molecular Weight |
348.402
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| Canonical SMILES |
Cc1ccc2c3CN(CCc3n(CC(O)=O)c2c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20N2O3/c1-14-7-8-16-17-12-22(21(26)15-5-3-2-4-6-15)10-9-18(17)23(13-20(24)25)19(16)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,24,25)
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| InChIKey |
PCTZFTRZOSZCEB-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