General Information of the Compound
| Compound ID |
CP0532294
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| Compound Name |
7-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C24H31N3O3S
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| Molecular Weight |
441.597
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| Canonical SMILES |
COC[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C(C)C)c(=O)c2ccsc12
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| InChI |
InChI=1S/C24H31N3O3S/c1-17(2)27-24(28)21-11-15-31-23(21)22(25-27)18-7-9-20(10-8-18)30-14-5-13-26-12-4-6-19(26)16-29-3/h7-11,15,17,19H,4-6,12-14,16H2,1-3H3/t19-/m0/s1
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| InChIKey |
VHOMOVHJTOKEFG-IBGZPJMESA-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