General Information of the Compound
| Compound ID |
CP0395389
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| Compound Name |
(R)-2-(4-fluorophenyl)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)thieno[2,3-d]pyridazin-7(6H)-one
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| Structure |
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| Formula |
C22H20FN5OS
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| Molecular Weight |
421.501
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| Canonical SMILES |
CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H20FN5OS/c1-24-17-8-9-27(13-17)20-7-6-18(12-25-20)28-22(29)21-15(11-26-28)10-19(30-21)14-2-4-16(23)5-3-14/h2-7,10-12,17,24H,8-9,13H2,1H3/t17-/m1/s1
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| InChIKey |
GGSZDPGQFROCRJ-QGZVFWFLSA-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