General Information of the Compound
| Compound ID |
CP0520253
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| Compound Name |
US9365558, 4
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| Structure |
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| Formula |
C30H33F6N3O5S
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| Molecular Weight |
661.665
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| Canonical SMILES |
CN(C)c1ccc(cc1)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/C30H33F6N3O5S/c1-39(2)21-10-6-19(7-11-21)24-18-28(30(34,35)36,37-26(40)25(24)27(41)38-45(42,43)23-14-15-23)20-8-12-22(13-9-20)44-17-5-3-4-16-29(31,32)33/h6-13,23H,3-5,14-18H2,1-2H3,(H,37,40)(H,38,41)/t28-/m0/s1
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| InChIKey |
NCWATZBSGVLPIU-NDEPHWFRSA-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