General Information of the Compound
| Compound ID |
CP0561993
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| Compound Name |
2-[3-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenyl]ethanol
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| Structure |
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| Formula |
C22H21ClN2O
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| Molecular Weight |
364.876
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| Canonical SMILES |
OCCc1cccc(Nc2cc(nc3CCCc23)-c2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C22H21ClN2O/c23-17-6-2-5-16(13-17)21-14-22(19-8-3-9-20(19)25-21)24-18-7-1-4-15(12-18)10-11-26/h1-2,4-7,12-14,26H,3,8-11H2,(H,24,25)
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| InChIKey |
ZQBBCONWIOAVGQ-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