General Information of the Compound
| Compound ID |
CP0436769
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| Compound Name |
(S)-7-(3-fluorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
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| Structure |
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| Formula |
C18H20FN3O
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| Molecular Weight |
313.376
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| Canonical SMILES |
Fc1cccc(O[C@H]2CCc3ccc(nc23)N2CCNCC2)c1
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| InChI |
InChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1
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| InChIKey |
CIKMVPIYQNULFA-INIZCTEOSA-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