General Information of the Compound
| Compound ID |
CP0518390
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| Compound Name |
US9365558, 75
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| Structure |
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| Formula |
C27H30F6N4O4S
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| Molecular Weight |
620.616
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| Canonical SMILES |
CC(C)n1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H30F6N4O4S/c1-16(2)37-14-12-21(35-37)20-15-25(27(31,32)33,18-8-6-17(7-9-18)5-3-4-13-26(28,29)30)34-23(38)22(20)24(39)36-42(40,41)19-10-11-19/h6-9,12,14,16,19H,3-5,10-11,13,15H2,1-2H3,(H,34,38)(H,36,39)/t25-/m0/s1
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| InChIKey |
GWJPQOHSWKFVCI-VWLOTQADSA-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