General Information of the Compound
| Compound ID |
CP0133068
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| Compound Name |
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H33N3O
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| Molecular Weight |
415.581
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C
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| InChI |
InChI=1S/C27H33N3O/c1-21-8-7-11-26(22(21)2)30-18-16-29(17-19-30)15-6-5-14-28-27(31)25-13-12-23-9-3-4-10-24(23)20-25/h3-4,7-13,20H,5-6,14-19H2,1-2H3,(H,28,31)
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| InChIKey |
GLISUIAZBJFVAS-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