General Information of the Compound
| Compound ID |
CP0848421
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| Compound Name |
4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butylcarbamoyloxy]naphthalene-1-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C26H28Cl3N3O4
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| Molecular Weight |
552.886
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(C(=O)O)c2ccccc12
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| InChI |
InChI=1S/C26H27Cl2N3O4.ClH/c27-21-8-5-9-22(24(21)28)31-16-14-30(15-17-31)13-4-3-12-29-26(34)35-23-11-10-20(25(32)33)18-6-1-2-7-19(18)23;/h1-2,5-11H,3-4,12-17H2,(H,29,34)(H,32,33);1H
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| InChIKey |
LPJCPRFQXVCSKU-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: PT00943, D(3) dopamine receptor
Protein ID: PT01099, Fatty-acid amide hydrolase 1