General Information of the Compound
| Compound ID |
CP0385461
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| Compound Name |
US10047103, 181
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| Structure |
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| Formula |
C26H17F4N5O4S2
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| Molecular Weight |
603.579
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)NCC(F)(F)F)cc(F)cc2o1
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| InChI |
InChI=1S/C26H17F4N5O4S2/c1-37-25-34-35-9-18(33-24(35)41-25)21-8-17-19(6-15(27)7-20(17)39-21)38-10-16-11-40-23(32-16)14-4-2-13(3-5-14)22(36)31-12-26(28,29)30/h2-9,11H,10,12H2,1H3,(H,31,36)
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| InChIKey |
RIAXJNQBSCCWKV-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