General Information of the Compound
| Compound ID |
CP0422145
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| Compound Name |
US10865208, Compound I-205
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| Structure |
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| Formula |
C17H20N6O5S2
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| Molecular Weight |
452.518
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| Canonical SMILES |
Cc1cccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1
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| InChI |
InChI=1S/C17H20N6O5S2/c1-9-3-2-4-10(5-9)29-17-14-15(18)20-8-21-16(14)23(22-17)13-6-11(24)12(28-13)7-27-30(19,25)26/h2-5,8,11-13,24H,6-7H2,1H3,(H2,18,20,21)(H2,19,25,26)/t11-,12+,13+/m0/s1
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| InChIKey |
GJKSEDOCJGXBNB-YNEHKIRRSA-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