General Information of the Compound
| Compound ID |
CP0219491
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| Compound Name |
US10865208, Compound I-105
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| Structure |
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| Formula |
C11H15FN6O6S
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| Molecular Weight |
378.342
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| Canonical SMILES |
COc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12
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| InChI |
InChI=1S/C11H15FN6O6S/c1-22-10-5-8(13)15-3-16-9(5)18(17-10)11-6(12)7(19)4(24-11)2-23-25(14,20)21/h3-4,6-7,11,19H,2H2,1H3,(H2,13,15,16)(H2,14,20,21)/t4-,6+,7-,11-/m1/s1
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| InChIKey |
CJPZKCWNOSJROB-WAUSKZQCSA-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