General Information of the Compound
| Compound ID |
CP0139334
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| Compound Name |
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-propan-2-yl-5,6-dihydrobenzo[h]cinnolin-3-one
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O
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| InChI |
InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1
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| InChIKey |
AZBGZTWRYFLSNW-QGZVFWFLSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor