General Information of the Compound
| Compound ID |
CP0144217
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| Compound Name |
(S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
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| Structure |
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| Formula |
C21H26FN3O
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| Molecular Weight |
355.457
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| Canonical SMILES |
C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1
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| InChI |
InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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| InChIKey |
ZAZVLBZIEZHJFV-BEFAXECRSA-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
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B