General Information of the Compound
| Compound ID |
CP0475804
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| Compound Name |
3,5-difluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyridin-4-amine
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| Structure |
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| Formula |
C17H12F2N6
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| Molecular Weight |
338.321
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(Nc2c(F)cncc2F)c2cccn2n1
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| InChI |
InChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24)
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| InChIKey |
CHUUBNXHAJWANT-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