General Information of the Compound
| Compound ID |
CP0460613
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| Compound Name |
1-[4-(5-benzhydryltetrazol-1-yl)butyl]-4-(2,3-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C28H30Cl2N6
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| Molecular Weight |
521.496
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCn3nnnc3C(c3ccccc3)c3ccccc3)CC2)c1Cl
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| InChI |
InChI=1S/C28H30Cl2N6/c29-24-14-9-15-25(27(24)30)35-20-18-34(19-21-35)16-7-8-17-36-28(31-32-33-36)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-6,9-15,26H,7-8,16-21H2
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| InChIKey |
UKEMOHAXNWAKHC-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