General Information of the Compound
| Compound ID |
CP0544722
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| Compound Name |
US10047103, 184
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| Structure |
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| Formula |
C27H19FN6O4S2
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| Molecular Weight |
574.619
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)CC#N)cc(F)cc2o1
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| InChI |
InChI=1S/C27H19FN6O4S2/c1-33(8-7-29)25(35)16-5-3-15(4-6-16)24-30-18(14-39-24)13-37-21-9-17(28)10-22-19(21)11-23(38-22)20-12-34-26(31-20)40-27(32-34)36-2/h3-6,9-12,14H,8,13H2,1-2H3
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| InChIKey |
MIWUOYQRAFJWFJ-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