General Information of the Compound
| Compound ID |
CP0542029
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| Compound Name |
1,3-bis(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[f]quinazoline
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| Structure |
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| Formula |
C22H30N6
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| Molecular Weight |
378.524
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| Canonical SMILES |
CN1CCN(CC1)c1nc2CCc3ccccc3-c2c(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H30N6/c1-25-9-13-27(14-10-25)21-20-18-6-4-3-5-17(18)7-8-19(20)23-22(24-21)28-15-11-26(2)12-16-28/h3-6H,7-16H2,1-2H3
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| InChIKey |
MUIFBAAAIAZNFI-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