General Information of the Compound
| Compound ID |
CP0518391
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| Compound Name |
US9365558, 87
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| Structure |
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| Formula |
C26H26F6N4O5S
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| Molecular Weight |
620.572
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| Canonical SMILES |
FC(F)(F)CCCOc1ccc(cc1)[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F6N4O5S/c27-25(28,29)11-1-13-41-17-6-2-15(3-7-17)24(26(30,31)32)14-19(20-10-12-36(34-20)16-4-5-16)21(22(37)33-24)23(38)35-42(39,40)18-8-9-18/h2-3,6-7,10,12,16,18H,1,4-5,8-9,11,13-14H2,(H,33,37)(H,35,38)/t24-/m0/s1
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| InChIKey |
QFMOAFWRAOODHI-DEOSSOPVSA-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