General Information of the Compound
| Compound ID |
CP0491027
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| Compound Name |
US10047103, 106
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| Structure |
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| Formula |
C22H20N6O4S2
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| Molecular Weight |
496.574
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N(C)CCC#N)cc(OC)cc2o1
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| InChI |
InChI=1S/C22H20N6O4S2/c1-27(6-4-5-23)20-24-13(12-33-20)11-31-17-7-14(29-2)8-18-15(17)9-19(32-18)16-10-28-21(25-16)34-22(26-28)30-3/h7-10,12H,4,6,11H2,1-3H3
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| InChIKey |
RHAGKGYWNRLLIG-UHFFFAOYSA-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