General Information of the Compound
| Compound ID |
CP0239911
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| Compound Name |
US10865208, Compound I-179
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| Structure |
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| Formula |
C16H17ClN6O5S2
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| Molecular Weight |
472.936
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| Canonical SMILES |
Nc1ncnc2n(nc(Sc3cccc(Cl)c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1
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| InChI |
InChI=1S/C16H17ClN6O5S2/c17-8-2-1-3-9(4-8)29-16-13-14(18)20-7-21-15(13)23(22-16)12-5-10(24)11(28-12)6-27-30(19,25)26/h1-4,7,10-12,24H,5-6H2,(H2,18,20,21)(H2,19,25,26)/t10-,11+,12+/m0/s1
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| InChIKey |
OICGDVPCZSVSCO-QJPTWQEYSA-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