General Information of the Compound
| Compound ID |
CP0185936
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| Compound Name |
2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C23H26FN3O
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| Molecular Weight |
379.479
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| Canonical SMILES |
CN1CCC(COCc2cc(cc(n2)C2CC2)C#N)(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H26FN3O/c1-27-10-8-23(9-11-27,19-4-6-20(24)7-5-19)16-28-15-21-12-17(14-25)13-22(26-21)18-2-3-18/h4-7,12-13,18H,2-3,8-11,15-16H2,1H3
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| InChIKey |
DTQNTNJTPOGBBI-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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor