General Information of the Compound
| Compound ID |
CP0548382
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| Compound Name |
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1-methyl-1,2,4-triazol-3-yl)pentan-3-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C22H25FN6O
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| Molecular Weight |
408.481
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| Canonical SMILES |
CCn1ncc2c(F)cc(cc12)-c1ccc(c(=O)[nH]1)C(CC)(CC)c1ncn(C)n1
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| InChI |
InChI=1S/C22H25FN6O/c1-5-22(6-2,21-24-13-28(4)27-21)16-8-9-18(26-20(16)30)14-10-17(23)15-12-25-29(7-3)19(15)11-14/h8-13H,5-7H2,1-4H3,(H,26,30)
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| InChIKey |
LIDORYVGFOPUMV-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