General Information of the Compound
| Compound ID |
CP0911248
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| Compound Name |
US8921559, 17
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| Structure |
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| Formula |
C31H34F2N4O4
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| Molecular Weight |
564.633
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1
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| InChI |
InChI=1S/C31H34F2N4O4/c32-31(33)40-26-11-5-19(17-27(26)41-31)6-12-28(38)37-15-13-21(14-16-37)29(30(34)39)36-22-9-7-20(8-10-22)24-18-35-25-4-2-1-3-23(24)25/h1-6,11-12,17-18,20-22,29,35-36H,7-10,13-16H2,(H2,34,39)/b12-6+
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| InChIKey |
JXEWPDIKUVTTBA-WUXMJOGZSA-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