General Information of the Compound
| Compound ID |
CP0330237
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| Compound Name |
5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C21H28N6O
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| Molecular Weight |
380.496
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2c(C)[nH]c3nc(ncc23)N(C)C)CC1
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| InChI |
InChI=1S/C21H28N6O/c1-15-17(16-13-22-21(25(2)3)24-20(16)23-15)14-26-9-11-27(12-10-26)18-7-5-6-8-19(18)28-4/h5-8,13H,9-12,14H2,1-4H3,(H,22,23,24)
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| InChIKey |
ADAZZWTYEBRRHE-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