General Information of the Compound
| Compound ID |
CP0384371
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| Compound Name |
N-(3-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C18H23N5O
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| Molecular Weight |
325.416
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| Canonical SMILES |
Cc1cccc(NC(=O)CCN2CCN(CC2)c2ncccn2)c1
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| InChI |
InChI=1S/C18H23N5O/c1-15-4-2-5-16(14-15)21-17(24)6-9-22-10-12-23(13-11-22)18-19-7-3-8-20-18/h2-5,7-8,14H,6,9-13H2,1H3,(H,21,24)
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| InChIKey |
LPWRTRRXYPVJKD-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