General Information of the Compound
| Compound ID |
CP0562474
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| Compound Name |
US9365558, 20
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| Structure |
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| Formula |
C32H36F6N2O5S
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| Molecular Weight |
674.704
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| Canonical SMILES |
CC(C)(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/C32H36F6N2O5S/c1-29(2,3)21-9-7-20(8-10-21)25-19-30(32(36,37)38,39-27(41)26(25)28(42)40-46(43,44)24-15-16-24)22-11-13-23(14-12-22)45-18-6-4-5-17-31(33,34)35/h7-14,24H,4-6,15-19H2,1-3H3,(H,39,41)(H,40,42)/t30-/m0/s1
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| InChIKey |
FFNRNTHXKNCQAF-PMERELPUSA-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