General Information of the Compound
| Compound ID |
CP0556928
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| Compound Name |
US9315520, Comparator 5
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| Structure |
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| Formula |
C19H19N5O2S2
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| Molecular Weight |
413.528
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| Canonical SMILES |
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1
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| InChI |
InChI=1S/C19H19N5O2S2/c1-11-4-13-8-28-18(21)24-19(13,10-26-11)16-5-14(9-27-16)23-17(25)15-3-2-12(6-20)7-22-15/h2-3,5,7,9,11,13H,4,8,10H2,1H3,(H2,21,24)(H,23,25)/t11-,13-,19-/m0/s1
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| InChIKey |
YIXDWYJNAHJADD-BLWXERESSA-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