General Information of the Compound
| Compound ID |
CP0531985
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| Compound Name |
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C22H19ClN2O2
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| Molecular Weight |
378.859
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| Canonical SMILES |
OC(=O)Cc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C22H19ClN2O2/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)25-20)24-17-9-7-14(8-10-17)11-22(26)27/h1,3-4,7-10,12-13H,2,5-6,11H2,(H,24,25)(H,26,27)
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| InChIKey |
BEDXUERKUXWCCF-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