General Information of the Compound
| Compound ID |
CP0501038
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| Compound Name |
N-[4-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C34H39N3O3
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| Molecular Weight |
537.704
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| Canonical SMILES |
COc1ccccc1C(N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1OC
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| InChI |
InChI=1S/C34H39N3O3/c1-39-31-15-7-5-13-29(31)33(30-14-6-8-16-32(30)40-2)37-23-21-36(22-24-37)20-10-9-19-35-34(38)28-18-17-26-11-3-4-12-27(26)25-28/h3-8,11-18,25,33H,9-10,19-24H2,1-2H3,(H,35,38)
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| InChIKey |
HEJWFNURPGCDGT-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