General Information of the Compound
| Compound ID |
CP0560917
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| Compound Name |
2-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3-thiazole
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| Structure |
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| Formula |
C21H22FN5S
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| Molecular Weight |
395.507
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| Canonical SMILES |
Cc1cnc(s1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
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| InChI |
InChI=1S/C21H22FN5S/c1-14-13-23-21(28-14)18-4-5-20(25-24-18)26-9-7-17(8-10-26)27-11-6-15-2-3-16(22)12-19(15)27/h2-5,12-13,17H,6-11H2,1H3
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| InChIKey |
AKBVREXEVPVWDD-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