General Information of the Compound
| Compound ID |
CP0456894
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| Compound Name |
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(2-phenylethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H27N5
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| Molecular Weight |
373.504
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| Canonical SMILES |
CN1CCN(CC1)c1cc(nc(NCCc2ccccc2)n1)-c1ccccc1
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| InChI |
InChI=1S/C23H27N5/c1-27-14-16-28(17-15-27)22-18-21(20-10-6-3-7-11-20)25-23(26-22)24-13-12-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,24,25,26)
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| InChIKey |
RJBSDPQABLYGGQ-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor