General Information of the Compound
| Compound ID |
CP0485854
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| Compound Name |
2-[4-[4-(5-benzhydryltetrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
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| Structure |
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| Formula |
C26H30N8
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| Molecular Weight |
454.582
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| Canonical SMILES |
C(CCn1nnnc1C(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C26H30N8/c1-3-10-22(11-4-1)24(23-12-5-2-6-13-23)25-29-30-31-34(25)17-8-7-16-32-18-20-33(21-19-32)26-27-14-9-15-28-26/h1-6,9-15,24H,7-8,16-21H2
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| InChIKey |
UZMFETDRCQYXIG-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