General Information of the Compound
| Compound ID |
CP0414489
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| Compound Name |
US9365558, 73
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| Structure |
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| Formula |
C28H30F6N4O4S
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| Molecular Weight |
632.627
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| Canonical SMILES |
FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N4O4S/c29-27(30,31)13-2-1-3-17-6-8-19(9-7-17)26(28(32,33)34)15-21(22-12-14-38(36-22)16-18-4-5-18)23(24(39)35-26)25(40)37-43(41,42)20-10-11-20/h6-9,12,14,18,20H,1-5,10-11,13,15-16H2,(H,35,39)(H,37,40)/t26-/m0/s1
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| InChIKey |
QUIOVWTXEKVAQS-SANMLTNESA-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