General Information of the Compound
| Compound ID |
CP0408235
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| Compound Name |
(R)-2-(4-ethylphenyl)-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 |
C24H25N5OS
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| Molecular Weight |
431.565
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| Canonical SMILES |
CCc1ccc(cc1)-c1cc2cnn(-c3ccc(nc3)N3CC[C@H](C3)NC)c(=O)c2s1
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| InChI |
InChI=1S/C24H25N5OS/c1-3-16-4-6-17(7-5-16)21-12-18-13-27-29(24(30)23(18)31-21)20-8-9-22(26-14-20)28-11-10-19(15-28)25-2/h4-9,12-14,19,25H,3,10-11,15H2,1-2H3/t19-/m1/s1
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| InChIKey |
DAWVIISZSJSPPE-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