General Information of the Compound
| Compound ID |
CP0426891
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| Compound Name |
N-[4-[4-(N-benzylanilino)piperidin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C33H37N3O
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| Molecular Weight |
491.679
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| Canonical SMILES |
O=C(NCCCCN1CCC(CC1)N(Cc1ccccc1)c1ccccc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H37N3O/c37-33(30-18-17-28-13-7-8-14-29(28)25-30)34-21-9-10-22-35-23-19-32(20-24-35)36(31-15-5-2-6-16-31)26-27-11-3-1-4-12-27/h1-8,11-18,25,32H,9-10,19-24,26H2,(H,34,37)
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| InChIKey |
XCARDCCUPWWHMP-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