General Information of the Compound
| Compound ID |
CP0428787
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| Compound Name |
4-benzyl-1-[3-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]propyl]piperidine
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| Structure |
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| Formula |
C23H26F3N5
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| Molecular Weight |
429.49
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H26F3N5/c24-23(25,26)21-9-4-8-20(17-21)22-27-28-29-31(22)13-5-12-30-14-10-19(11-15-30)16-18-6-2-1-3-7-18/h1-4,6-9,17,19H,5,10-16H2
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| InChIKey |
WRRCFYCEXPHDHC-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter