General Information of the Compound
| Compound ID |
CP0260081
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| Compound Name |
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C25H26Cl2FN3O
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| Molecular Weight |
474.407
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| Canonical SMILES |
FC(CCNC(=O)c1ccc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H26Cl2FN3O/c26-22-6-3-7-23(24(22)27)31-14-12-30(13-15-31)17-21(28)10-11-29-25(32)20-9-8-18-4-1-2-5-19(18)16-20/h1-9,16,21H,10-15,17H2,(H,29,32)
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| InChIKey |
CNIUTIHLBNEOKA-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