General Information of the Compound
| Compound ID |
CP0407051
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| Compound Name |
(S)-7-(2-chlorophenoxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
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| Structure |
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| Formula |
C19H22ClN3O
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| Molecular Weight |
343.858
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| Canonical SMILES |
C[C@@H]1CNCCN1c1ccc2CC[C@H](Oc3ccccc3Cl)c2n1
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| InChI |
InChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
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| InChIKey |
MWHSRYBROGTQTJ-DYVFJYSZSA-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