General Information of the Compound
| Compound ID |
CP0449975
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| Compound Name |
US9365558, 46
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| Structure |
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| Formula |
C26H25F7N4O5S
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| Molecular Weight |
638.562
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| Canonical SMILES |
Fc1cc(OCCCC(F)(F)F)ccc1[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/C26H25F7N4O5S/c27-19-12-15(42-11-1-9-25(28,29)30)4-7-18(19)24(26(31,32)33)13-17(20-8-10-37(35-20)14-2-3-14)21(22(38)34-24)23(39)36-43(40,41)16-5-6-16/h4,7-8,10,12,14,16H,1-3,5-6,9,11,13H2,(H,34,38)(H,36,39)/t24-/m0/s1
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| InChIKey |
OMFGMTZVMKYZAD-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