General Information of the Compound
| Compound ID |
CP0348658
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| Compound Name |
1-[2-(diethylamino)ethyl]-3-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]urea
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| Structure |
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| Formula |
C25H25FN8OS2
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| Molecular Weight |
536.662
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| Canonical SMILES |
CCN(CC)CCNC(=O)Nc1nc2ccc(Sc3nnc4ccc(nn34)-c3ccc(F)cc3)cc2s1
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| InChI |
InChI=1S/C25H25FN8OS2/c1-3-33(4-2)14-13-27-23(35)29-24-28-20-10-9-18(15-21(20)37-24)36-25-31-30-22-12-11-19(32-34(22)25)16-5-7-17(26)8-6-16/h5-12,15H,3-4,13-14H2,1-2H3,(H2,27,28,29,35)
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| InChIKey |
KWWVEGSNWIJWMP-UHFFFAOYSA-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