General Information of the Compound
| Compound ID |
CP0847330
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| Compound Name |
1H-benzimidazol-4-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate hydrochloride
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| Structure |
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| Formula |
C22H26Cl3N5O2
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| Molecular Weight |
498.842
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc2[nH]cnc12
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| InChI |
InChI=1S/C22H25Cl2N5O2.ClH/c23-16-5-3-7-18(20(16)24)29-13-11-28(12-14-29)10-2-1-9-25-22(30)31-19-8-4-6-17-21(19)27-15-26-17;/h3-8,15H,1-2,9-14H2,(H,25,30)(H,26,27);1H
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| InChIKey |
WEPKFXLEEGTYON-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