General Information of the Compound
| Compound ID |
CP0126501
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| Compound Name |
US10865208, Compound I-106
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| Structure |
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| Formula |
C16H16ClFN6O5S2
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| Molecular Weight |
490.926
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| Canonical SMILES |
Nc1ncnc2n(nc(Sc3cccc(Cl)c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F
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| InChI |
InChI=1S/C16H16ClFN6O5S2/c17-7-2-1-3-8(4-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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| InChIKey |
XIZNXSSAZSFJJR-DFANHVJVSA-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