General Information of the Compound
| Compound ID |
CP0456893
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinazolin-3-amine
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
COc1ccc(CNc2nc3CCc4ccccc4-c3c(n2)N2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C25H29N5O/c1-29-13-15-30(16-14-29)24-23-21-6-4-3-5-19(21)9-12-22(23)27-25(28-24)26-17-18-7-10-20(31-2)11-8-18/h3-8,10-11H,9,12-17H2,1-2H3,(H,26,27,28)
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| InChIKey |
VMWDGVHSQTWDFE-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