General Information of the Compound
| Compound ID |
CP0522356
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| Compound Name |
(S)-6-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-2-(4-(trifluoromethyl)phenyl)thieno[2,3-d]pyridazin-7(6H)-one
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| Structure |
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| Formula |
C24H22F3N5OS
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| Molecular Weight |
485.535
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5OS/c1-30(2)19-9-10-31(14-19)21-8-7-18(13-28-21)32-23(33)22-16(12-29-32)11-20(34-22)15-3-5-17(6-4-15)24(25,26)27/h3-8,11-13,19H,9-10,14H2,1-2H3/t19-/m0/s1
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| InChIKey |
ZJHQVUWPGYYYDW-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