General Information of the Compound
| Compound ID |
CP0473624
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| Compound Name |
7-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-5-propylthieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C24H31N3O2S
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| Molecular Weight |
425.598
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| Canonical SMILES |
CCCn1nc(-c2ccc(OCCCN3CCC(C)CC3)cc2)c2sccc2c1=O
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| InChI |
InChI=1S/C24H31N3O2S/c1-3-12-27-24(28)21-11-17-30-23(21)22(25-27)19-5-7-20(8-6-19)29-16-4-13-26-14-9-18(2)10-15-26/h5-8,11,17-18H,3-4,9-10,12-16H2,1-2H3
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| InChIKey |
MCSKDBHPCLPXHI-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