General Information of the Compound
| Compound ID |
CP0299385
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| Compound Name |
7-{[4-(3,4-Dichlorophenyl)piperazin-1-yl]methyl}-3-methyl-2-pyrrolidin-1-yl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C22H26Cl2N6O
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| Molecular Weight |
461.397
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| Canonical SMILES |
Cn1c(nc2c(CN3CCN(CC3)c3ccc(Cl)c(Cl)c3)c[nH]c2c1=O)N1CCCC1
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| InChI |
InChI=1S/C22H26Cl2N6O/c1-27-21(31)20-19(26-22(27)30-6-2-3-7-30)15(13-25-20)14-28-8-10-29(11-9-28)16-4-5-17(23)18(24)12-16/h4-5,12-13,25H,2-3,6-11,14H2,1H3
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| InChIKey |
VXWWHYWZTKORBH-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
Protein ID: PT01161, D(4) dopamine receptor