General Information of the Compound
| Compound ID |
CP0318170
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| Compound Name |
5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1,3-dihydrobenzimidazol-2-one
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| Structure |
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| Formula |
C21H24Cl2N4O2
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| Molecular Weight |
435.355
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C21H24Cl2N4O2/c22-16-4-3-5-19(20(16)23)27-11-9-26(10-12-27)8-1-2-13-29-15-6-7-17-18(14-15)25-21(28)24-17/h3-7,14H,1-2,8-13H2,(H2,24,25,28)
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| InChIKey |
LROJLXGQKUBROL-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: PT01005, D(2) dopamine receptor