General Information of the Compound
| Compound ID |
CP0193719
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| Compound Name |
1-methyl-4-[6-[(4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridin-2-yl]piperazine
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| Structure |
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| Formula |
C24H31F3N4O
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| Molecular Weight |
448.533
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| Canonical SMILES |
CN1CCN(CC1)c1cc(cc(COCC2(CCNCC2)c2ccccc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C24H31F3N4O/c1-30-11-13-31(14-12-30)22-16-20(24(25,26)27)15-21(29-22)17-32-18-23(7-9-28-10-8-23)19-5-3-2-4-6-19/h2-6,15-16,28H,7-14,17-18H2,1H3
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| InChIKey |
YXYOQVJTKQKSTM-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