General Information of the Compound
| Compound ID |
CP0848403
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| Compound Name |
2,3-dihydro-1,4-benzodioxin-5-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate hydrochloride
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| Structure |
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| Formula |
C23H28Cl3N3O4
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| Molecular Weight |
516.853
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc2c1OCCO2
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| InChI |
InChI=1S/C23H27Cl2N3O4.ClH/c24-17-5-3-6-18(21(17)25)28-13-11-27(12-14-28)10-2-1-9-26-23(29)32-20-8-4-7-19-22(20)31-16-15-30-19;/h3-8H,1-2,9-16H2,(H,26,29);1H
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| InChIKey |
PJXTUEAYKNCWFN-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