General Information of the Compound
| Compound ID |
CP0468338
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| Compound Name |
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
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| Structure |
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| Formula |
C24H26FN5
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| Molecular Weight |
403.505
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc-2c1CCc1ccccc-21
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| InChI |
InChI=1S/C24H26FN5/c1-29-12-14-30(15-13-29)23-21-11-8-18-4-2-3-5-20(18)22(21)27-24(28-23)26-16-17-6-9-19(25)10-7-17/h2-7,9-10H,8,11-16H2,1H3,(H,26,27,28)
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| InChIKey |
ZAAKGSGSFGONCJ-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