General Information of the Compound
| Compound ID |
CP0309182
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| Compound Name |
6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-N,N-dimethyl-4-(trifluoromethyl)pyridin-2-amine
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| Structure |
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| Formula |
C21H25F4N3O
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| Molecular Weight |
411.443
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| Canonical SMILES |
CN(C)c1cc(cc(COCC2(CCNCC2)c2ccc(F)cc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F4N3O/c1-28(2)19-12-16(21(23,24)25)11-18(27-19)13-29-14-20(7-9-26-10-8-20)15-3-5-17(22)6-4-15/h3-6,11-12,26H,7-10,13-14H2,1-2H3
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| InChIKey |
GYCNKTJLOQCTEA-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