General Information of the Compound
| Compound ID |
CP0014361
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| Compound Name |
8-[5-(difluoromethyl)pyridin-3-yl]-4-methyl-1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C21H19F2N5O
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| Molecular Weight |
395.413
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| Canonical SMILES |
Cc1nc2ccc(cc2n2c(nnc12)C1CCOCC1)-c1cncc(c1)C(F)F
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| InChI |
InChI=1S/C21H19F2N5O/c1-12-20-26-27-21(13-4-6-29-7-5-13)28(20)18-9-14(2-3-17(18)25-12)15-8-16(19(22)23)11-24-10-15/h2-3,8-11,13,19H,4-7H2,1H3
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| InChIKey |
MGWKNFSOFRTXCS-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