General Information of the Compound
| Compound ID |
CP0438059
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| Compound Name |
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]-N-methylacetamide
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| Structure |
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| Formula |
C23H22ClN3O
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| Molecular Weight |
391.902
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| Canonical SMILES |
CNC(=O)Cc1ccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C23H22ClN3O/c1-25-23(28)12-15-8-10-18(11-9-15)26-22-14-21(16-4-2-5-17(24)13-16)27-20-7-3-6-19(20)22/h2,4-5,8-11,13-14H,3,6-7,12H2,1H3,(H,25,28)(H,26,27)
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| InChIKey |
NKNXGHSIYQVARV-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