General Information of the Compound
| Compound ID |
CP0401983
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| Compound Name |
6-chloro-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
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| Structure |
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| Formula |
C13H15ClN4O
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| Molecular Weight |
278.743
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| Canonical SMILES |
CN1CCN(CC1)c1nc2ccc(Cl)cc2c(=O)[nH]1
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| InChI |
InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13-15-11-3-2-9(14)8-10(11)12(19)16-13/h2-3,8H,4-7H2,1H3,(H,15,16,19)
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| InChIKey |
BNASSGFQLMOZKG-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01711, Histamine H4 receptor