General Information of the Compound
| Compound ID |
CP0490419
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| Compound Name |
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
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| Structure |
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2ccc(C)cc2)nc-2c1CCc1ccccc-21
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| InChI |
InChI=1S/C25H29N5/c1-18-7-9-19(10-8-18)17-26-25-27-23-21-6-4-3-5-20(21)11-12-22(23)24(28-25)30-15-13-29(2)14-16-30/h3-10H,11-17H2,1-2H3,(H,26,27,28)
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| InChIKey |
DASXSVINLZRITJ-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