General Information of the Compound
| Compound ID |
CP0412882
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| Compound Name |
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-chloro-N-methylquinazolin-4-amine
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| Structure |
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| Formula |
C16H20ClN5
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| Molecular Weight |
317.824
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| Canonical SMILES |
CNc1nc(nc2ccc(Cl)cc12)N1CC2CCCNC2C1
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| InChI |
InChI=1S/C16H20ClN5/c1-18-15-12-7-11(17)4-5-13(12)20-16(21-15)22-8-10-3-2-6-19-14(10)9-22/h4-5,7,10,14,19H,2-3,6,8-9H2,1H3,(H,18,20,21)
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| InChIKey |
PCXDWBYAWMJZSM-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