General Information of the Compound
| Compound ID |
CP0473622
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| Compound Name |
7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C22H29N3O2S
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| Molecular Weight |
399.56
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nn(C(C)C)c(=O)c2ccsc12
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| InChI |
InChI=1S/C22H29N3O2S/c1-5-24(6-2)13-7-14-27-18-10-8-17(9-11-18)20-21-19(12-15-28-21)22(26)25(23-20)16(3)4/h8-12,15-16H,5-7,13-14H2,1-4H3
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| InChIKey |
FOFOCYNVIJYQJC-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