General Information of the Compound
| Compound ID |
CP0368729
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| Compound Name |
6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazol-2-amine
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| Structure |
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| Formula |
C24H22FN7OS2
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| Molecular Weight |
507.62
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc2nnc(Sc3ccc4nc(NCCN5CCOCC5)sc4c3)n2n1
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| InChI |
InChI=1S/C24H22FN7OS2/c25-17-3-1-16(2-4-17)19-7-8-22-28-29-24(32(22)30-19)34-18-5-6-20-21(15-18)35-23(27-20)26-9-10-31-11-13-33-14-12-31/h1-8,15H,9-14H2,(H,26,27)
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| InChIKey |
VKQVGHSFCUKNLV-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