General Information of the Compound
| Compound ID |
CP0565255
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| Compound Name |
1-[3-(5-benzhydryltetrazol-1-yl)propyl]-4-phenylpiperazine
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| Structure |
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| Formula |
C27H30N6
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| Molecular Weight |
438.579
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| Canonical SMILES |
C(CN1CCN(CC1)c1ccccc1)Cn1nnnc1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H30N6/c1-4-11-23(12-5-1)26(24-13-6-2-7-14-24)27-28-29-30-33(27)18-10-17-31-19-21-32(22-20-31)25-15-8-3-9-16-25/h1-9,11-16,26H,10,17-22H2
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| InChIKey |
PNVGMFBPZLBZGJ-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