General Information of the Compound
| Compound ID |
CP0560174
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| Compound Name |
US9365558, 70
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| Structure |
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| Formula |
C26H24F7N3O5S2
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| Molecular Weight |
655.614
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| Canonical SMILES |
Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ncc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F7N3O5S2/c27-18-10-14(41-9-1-8-25(28,29)30)4-7-17(18)24(26(31,32)33)11-16(23-34-12-19(42-23)13-2-3-13)20(21(37)35-24)22(38)36-43(39,40)15-5-6-15/h4,7,10,12-13,15H,1-3,5-6,8-9,11H2,(H,35,37)(H,36,38)/t24-/m0/s1
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| InChIKey |
WWNZYHIOPQBELB-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