General Information of the Compound
| Compound ID |
CP0571688
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| Compound Name |
US10865208, Compound I-141
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| Structure |
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| Formula |
C17H19FN6O5S2
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| Molecular Weight |
470.508
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| Canonical SMILES |
Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1
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| InChI |
InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/m1/s1
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| InChIKey |
NUCKXYNLHCNDCE-HWAANXBSSA-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