General Information of the Compound
| Compound ID |
CP0430677
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| Compound Name |
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-phenyl-5,6-dihydrobenzo[h]cinnolin-3-one
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(nc-23)-c2ccccc2)c1
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| InChI |
InChI=1S/C26H29N3O2/c1-19-7-5-14-28(19)15-6-16-31-23-12-13-24-20(17-23)10-11-21-18-25(30)29(27-26(21)24)22-8-3-2-4-9-22/h2-4,8-9,12-13,17-19H,5-7,10-11,14-16H2,1H3/t19-/m1/s1
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| InChIKey |
DCJCWQYEFYHXTK-LJQANCHMSA-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