General Information of the Compound
| Compound ID |
CP0904711
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| Compound Name |
1-naphthyl N-[4-[4-(o-tolyl)piperazin-1-yl]butyl]carbamate hydrochloride
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| Structure |
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| Formula |
C26H32ClN3O2
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| Molecular Weight |
454.014
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| Canonical SMILES |
Cc1ccccc1N1CCN(CCCCNC(=O)Oc2cccc3ccccc23)CC1.Cl
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| InChI |
InChI=1S/C26H31N3O2.ClH/c1-21-9-2-5-13-24(21)29-19-17-28(18-20-29)16-7-6-15-27-26(30)31-25-14-8-11-22-10-3-4-12-23(22)25;/h2-5,8-14H,6-7,15-20H2,1H3,(H,27,30);1H
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| InChIKey |
RNBFGBOJPIEKSK-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: PT01298, Cannabinoid receptor 1
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01099, Fatty-acid amide hydrolase 1