General Information of the Compound
| Compound ID |
CP0969142
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| Compound Name |
2-(4-(3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C16H16F2N8O2
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| Molecular Weight |
390.354
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| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nn1)N1CC(N2CCC(F)(F)C2)C1
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| InChI |
InChI=1S/C16H16F2N8O2/c17-16(18)3-5-23(9-16)10-6-24(7-10)14(28)11-8-26(22-20-11)15-19-13(27)12-2-1-4-25(12)21-15/h1-2,4,8,10H,3,5-7,9H2,(H,19,21,27)
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| InChIKey |
NBOSFXKSFVYBGT-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