General Information of the Compound
| Compound ID |
CP0430173
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine
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| Structure |
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| Formula |
C28H28F4N6
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| Molecular Weight |
524.566
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| Canonical SMILES |
Fc1ccc(cc1N1CCN(CCCn2nnnc2C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F4N6/c29-24-13-12-23(28(30,31)32)20-25(24)37-18-16-36(17-19-37)14-7-15-38-27(33-34-35-38)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26H,7,14-19H2
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| InChIKey |
VRDGPEMYNDNFPI-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