General Information of the Compound
| Compound ID |
CP0425482
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| Compound Name |
US9365558, 72
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| Structure |
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| Formula |
C29H33F6N3O5S
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| Molecular Weight |
649.654
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| Canonical SMILES |
CC(C)n1ccc(c1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H33F6N3O5S/c1-18(2)38-14-12-19(17-38)23-16-27(29(33,34)35,36-25(39)24(23)26(40)37-44(41,42)22-10-11-22)20-6-8-21(9-7-20)43-15-5-3-4-13-28(30,31)32/h6-9,12,14,17-18,22H,3-5,10-11,13,15-16H2,1-2H3,(H,36,39)(H,37,40)/t27-/m0/s1
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| InChIKey |
RFNZRFDWUNDTQN-MHZLTWQESA-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