General Information of the Compound
| Compound ID |
CP0479569
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| Compound Name |
6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
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| Structure |
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| Formula |
C16H22ClN5
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| Molecular Weight |
319.84
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| Canonical SMILES |
CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C16H22ClN5/c1-18-15-13-9-12(17)3-4-14(13)20-16(21-15)19-7-5-11-6-8-22(2)10-11/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,19,20,21)
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| InChIKey |
OICQCECVOFFRAG-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