General Information of the Compound
| Compound ID |
CP0508562
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| Compound Name |
5-[(4-chlorophenyl)methyl]-7-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]thieno[2,3-d]pyridazin-4-one
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| Structure |
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| Formula |
C27H28ClN3O2S
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| Molecular Weight |
494.06
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(Cc2ccc(Cl)cc2)c(=O)c2ccsc12
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| InChI |
InChI=1S/C27H28ClN3O2S/c1-19-4-2-14-30(19)15-3-16-33-23-11-7-21(8-12-23)25-26-24(13-17-34-26)27(32)31(29-25)18-20-5-9-22(28)10-6-20/h5-13,17,19H,2-4,14-16,18H2,1H3/t19-/m1/s1
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| InChIKey |
NNLRPACXXCLYOO-LJQANCHMSA-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