General Information of the Compound
| Compound ID |
CP0555930
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| Compound Name |
US9434711, 353
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| Structure |
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| Formula |
C28H21F4N3O2S2
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| Molecular Weight |
571.621
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cccc(c1)-c1ccnc(C)n1
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| InChI |
InChI=1S/C28H21F4N3O2S2/c1-17-22-8-3-4-9-26(22)38-27(17)35(16-19-10-11-24(29)23(14-19)28(30,31)32)39(36,37)21-7-5-6-20(15-21)25-12-13-33-18(2)34-25/h3-15H,16H2,1-2H3
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| InChIKey |
QVIMEKAGBYULFD-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