General Information of the Compound
| Compound ID |
CP0547712
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| Compound Name |
US9187424, 148
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| Structure |
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| Formula |
C32H30F6N2O4
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| Molecular Weight |
620.59
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| Canonical SMILES |
COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2C)cc1
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| InChI |
InChI=1S/C32H30F6N2O4/c1-19-5-14-25(20(2)17-19)26-18-30(32(36,37)38,21-6-10-24(11-7-21)44-16-4-15-31(33,34)35)40-29(42)27(26)28(41)39-22-8-12-23(43-3)13-9-22/h5-14,17H,4,15-16,18H2,1-3H3,(H,39,41)(H,40,42)
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| InChIKey |
NPOBSULMYATHQB-UHFFFAOYSA-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