General Information of the Compound
| Compound ID |
CP0468339
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| Compound Name |
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)-5,6-dihydrobenzo[h]quinazolin-4-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(NCCc2ccccc2)c2CCc3ccccc3-c2n1
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| InChI |
InChI=1S/C25H29N5/c1-29-15-17-30(18-16-29)25-27-23-21-10-6-5-9-20(21)11-12-22(23)24(28-25)26-14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,26,27,28)
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| InChIKey |
YHEMXXBTMXEOQE-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