General Information of the Compound
| Compound ID |
CP0464473
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| Compound Name |
US8975261, I-57
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| Structure |
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| Formula |
C19H20N4O2S
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| Molecular Weight |
368.462
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| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1csc(C)n1
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| InChI |
InChI=1S/C19H20N4O2S/c1-11-20-8-16(18-10-26-12(2)23-18)19(22-11)25-9-13-6-15(13)17-5-4-14(24-3)7-21-17/h4-5,7-8,10,13,15H,6,9H2,1-3H3/t13-,15+/m1/s1
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| InChIKey |
NXLDNCSPMSJZLL-HIFRSBDPSA-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