General Information of the Compound
| Compound ID |
CP0538179
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| Compound Name |
1-[2-(5-benzhydryltetrazol-1-yl)ethyl]-4-(2,3-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C26H26Cl2N6
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| Molecular Weight |
493.442
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| Canonical SMILES |
Clc1cccc(N2CCN(CCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C26H26Cl2N6/c27-22-12-7-13-23(25(22)28)33-17-14-32(15-18-33)16-19-34-26(29-30-31-34)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,24H,14-19H2
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| InChIKey |
KXODHLUXTAJVQN-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