General Information of the Compound
| Compound ID |
CP0454990
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| Compound Name |
N-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C32H34ClN3O
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| Molecular Weight |
512.097
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1)c1ccccc1
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| InChI |
InChI=1S/C32H34ClN3O/c33-30-16-14-27(15-17-30)31(26-9-2-1-3-10-26)36-22-20-35(21-23-36)19-7-6-18-34-32(37)29-13-12-25-8-4-5-11-28(25)24-29/h1-5,8-17,24,31H,6-7,18-23H2,(H,34,37)
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| InChIKey |
MLUHKGHTLUYKBS-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