General Information of the Compound
| Compound ID |
CP0409254
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| Compound Name |
US9365558, 59
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| Structure |
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| Formula |
C26H28F6N4O4S2
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| Molecular Weight |
638.656
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| Canonical SMILES |
FC(F)(F)CCCCCn1cc(cn1)[C@@]1(CC(c2ccc(s2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F6N4O4S2/c27-25(28,29)10-2-1-3-11-36-14-16(13-33-36)24(26(30,31)32)12-18(20-9-8-19(41-20)15-4-5-15)21(22(37)34-24)23(38)35-42(39,40)17-6-7-17/h8-9,13-15,17H,1-7,10-12H2,(H,34,37)(H,35,38)/t24-/m0/s1
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| InChIKey |
LVRCPAITBBEACY-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