General Information of the Compound
| Compound ID |
CP0412093
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| Compound Name |
1H-benzimidazol-2-yl-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COc1cccc(OCCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C21H24N4O3/c1-27-16-5-4-6-17(15-16)28-14-13-24-9-11-25(12-10-24)21(26)20-22-18-7-2-3-8-19(18)23-20/h2-8,15H,9-14H2,1H3,(H,22,23)
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| InChIKey |
USIXSLYEMNSLPV-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
Protein ID: PT00943, D(3) dopamine receptor