General Information of the Compound
| Compound ID |
CP0561451
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| Compound Name |
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1H-1,2,4-triazol-5-yl)pentan-3-yl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C21H23FN6O
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| Molecular Weight |
394.454
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| Canonical SMILES |
CCn1ncc2c(F)cc(cc12)-c1ccc(c(=O)[nH]1)C(CC)(CC)c1nnc[nH]1
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| InChI |
InChI=1S/C21H23FN6O/c1-4-21(5-2,20-23-12-24-27-20)15-7-8-17(26-19(15)29)13-9-16(22)14-11-25-28(6-3)18(14)10-13/h7-12H,4-6H2,1-3H3,(H,26,29)(H,23,24,27)
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| InChIKey |
OZURCRPUMJSFFQ-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