General Information of the Compound
| Compound ID |
CP0411901
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| Compound Name |
US10047103, 131
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| Structure |
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| Formula |
C24H21F3N4O6S2
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| Molecular Weight |
582.582
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(F)(F)F)C3(O)CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C24H21F3N4O6S2/c1-33-12-7-16(13-9-18(37-17(13)8-12)14-10-31-21(29-14)39-22(30-31)34-2)36-11-15-19(24(25,26)27)38-20(28-15)23(32)3-5-35-6-4-23/h7-10,32H,3-6,11H2,1-2H3
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| InChIKey |
IZHLHUFOADZHPG-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