General Information of the Compound
| Compound ID |
CP0891460
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| Compound Name |
(4-methoxy-1-naphthyl)-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate hydrochloride
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| Structure |
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| Formula |
C26H30Cl3N3O3
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| Molecular Weight |
538.903
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| Canonical SMILES |
COc1ccc(OC(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12.Cl
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| InChI |
InChI=1S/C26H29Cl2N3O3.ClH/c1-33-23-11-12-24(20-8-3-2-7-19(20)23)34-26(32)29-13-4-5-14-30-15-17-31(18-16-30)22-10-6-9-21(27)25(22)28;/h2-3,6-12H,4-5,13-18H2,1H3,(H,29,32);1H
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| InChIKey |
ZFKKIUPIARBYRT-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: PT00943, D(3) dopamine receptor
Protein ID: PT01099, Fatty-acid amide hydrolase 1