General Information of the Compound
| Compound ID |
CP0223879
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| Compound Name |
3-methyl-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyridazin-4-one
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| Structure |
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| Formula |
C22H31N3O2
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| Molecular Weight |
369.509
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(C)C(=O)C2CCCC12
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| InChI |
InChI=1S/C22H31N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16,19-20H,3-8,13-15H2,1-2H3/t16-,19?,20?/m1/s1
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| InChIKey |
GKEPUTPZCYQUOQ-PBPGXSGUSA-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