General Information of the Compound
| Compound ID |
CP0474217
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| Compound Name |
2-benzyl-8-(3-piperidin-1-ylpropoxy)-5,6-dihydrobenzo[h]cinnolin-3-one
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
O=c1cc2CCc3cc(OCCCN4CCCCC4)ccc3-c2nn1Cc1ccccc1
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| InChI |
InChI=1S/C27H31N3O2/c31-26-19-23-11-10-22-18-24(32-17-7-16-29-14-5-2-6-15-29)12-13-25(22)27(23)28-30(26)20-21-8-3-1-4-9-21/h1,3-4,8-9,12-13,18-19H,2,5-7,10-11,14-17,20H2
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| InChIKey |
NNZWFOAJTMZMQS-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor