General Information of the Compound
| Compound ID |
CP0343947
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| Compound Name |
US10865208, Compound I-27
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| Structure |
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| Formula |
C11H14F2N6O7S
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| Molecular Weight |
412.331
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| Canonical SMILES |
Nc1ncnc2n(nc(OC(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H14F2N6O7S/c12-11(13)26-9-4-7(14)16-2-17-8(4)19(18-9)10-6(21)5(20)3(25-10)1-24-27(15,22)23/h2-3,5-6,10-11,20-21H,1H2,(H2,14,16,17)(H2,15,22,23)/t3-,5-,6-,10-/m1/s1
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| InChIKey |
DCMDVFZIMQIMKS-BHBWVORQSA-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