General Information of the Compound
| Compound ID |
CP0098628
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| Compound Name |
US10865208, Compound I-52
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| Structure |
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| Formula |
C17H20N6O6S2
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| Molecular Weight |
468.517
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| Canonical SMILES |
Nc1ncnc2n(nc(SCc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C17H20N6O6S2/c18-14-11-15(21-8-20-14)23(22-16(11)30-7-9-4-2-1-3-5-9)17-13(25)12(24)10(29-17)6-28-31(19,26)27/h1-5,8,10,12-13,17,24-25H,6-7H2,(H2,18,20,21)(H2,19,26,27)/t10-,12-,13-,17-/m1/s1
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| InChIKey |
OJELGLQJHTUEFC-CNEMSGBDSA-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