General Information of the Compound
| Compound ID |
CP0803531
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| Compound Name |
US9266835, 41
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| Structure |
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| Formula |
C25H22ClF3N4O3S2
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| Molecular Weight |
583.057
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C25H22ClF3N4O3S2/c26-17-4-1-15(2-5-17)23(24-30-9-12-37-24)16-3-6-20-19(13-16)21(14-22(34)32-20)31-18-7-10-33(11-8-18)38(35,36)25(27,28)29/h1-6,9,12-14,18,23H,7-8,10-11H2,(H2,31,32,34)
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| InChIKey |
NLIJQLLYUVUMPM-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