General Information of the Compound
| Compound ID |
CP0468340
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| Compound Name |
N-[[3-(4-chlorophenyl)-4-methoxyphenyl]methyl]-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
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| Structure |
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| Formula |
C31H32ClN5O
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| Molecular Weight |
526.084
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| Canonical SMILES |
COc1ccc(CNc2nc(nc-3c2CCc2ccccc-32)N2CCN(C)CC2)cc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H32ClN5O/c1-36-15-17-37(18-16-36)31-34-29-25-6-4-3-5-22(25)10-13-26(29)30(35-31)33-20-21-7-14-28(38-2)27(19-21)23-8-11-24(32)12-9-23/h3-9,11-12,14,19H,10,13,15-18,20H2,1-2H3,(H,33,34,35)
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| InChIKey |
ILXVEBRYSUWBAI-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