General Information of the Compound
| Compound ID |
CP0426895
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| Compound Name |
N-[4-(4-benzhydrylpiperazin-1-yl)butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C32H35N3O
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| Molecular Weight |
477.652
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| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H35N3O/c36-32(30-18-17-26-11-7-8-16-29(26)25-30)33-19-9-10-20-34-21-23-35(24-22-34)31(27-12-3-1-4-13-27)28-14-5-2-6-15-28/h1-8,11-18,25,31H,9-10,19-24H2,(H,33,36)
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| InChIKey |
DQNYAPGMAYPLKE-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor