General Information of the Compound
| Compound ID |
CP0232854
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| Compound Name |
US10865208, Compound I-95
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| Structure |
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| Formula |
C13H20N6O6S2
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| Molecular Weight |
420.473
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| Canonical SMILES |
CC(C)Sc1nn([C@@H]2O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
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| InChI |
InChI=1S/C13H20N6O6S2/c1-5(2)26-12-7-10(14)16-4-17-11(7)19(18-12)13-9(21)8(20)6(25-13)3-24-27(15,22)23/h4-6,8-9,13,20-21H,3H2,1-2H3,(H2,14,16,17)(H2,15,22,23)/t6-,8+,9+,13+/m0/s1
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| InChIKey |
CDIBRSZOZOHBQK-FCCZHNFCSA-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