General Information of the Compound
| Compound ID |
CP0401125
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
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| Structure |
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| Formula |
C23H27N5O
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| Molecular Weight |
389.503
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| Canonical SMILES |
COc1ccc(CNc2cc(nc(n2)N2CCN(C)CC2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H27N5O/c1-27-12-14-28(15-13-27)23-25-21(19-6-4-3-5-7-19)16-22(26-23)24-17-18-8-10-20(29-2)11-9-18/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
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| InChIKey |
MYARBFIZJDVZQI-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