General Information of the Compound
| Compound ID |
CP0392001
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| Compound Name |
1-[4-(5-benzhydryltetrazol-1-yl)butyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
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| Structure |
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| Formula |
C31H36N6
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| Molecular Weight |
492.671
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| Canonical SMILES |
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(C\C=C\c2ccccc2)CC1
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| InChI |
InChI=1S/C31H36N6/c1-4-13-27(14-5-1)15-12-21-36-25-23-35(24-26-36)20-10-11-22-37-31(32-33-34-37)30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+
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| InChIKey |
XLGXHAZZBBZHCL-NTCAYCPXSA-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