General Information of the Compound
| Compound ID |
CP0544502
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| Compound Name |
US8835470, 26
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| Structure |
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| Formula |
C31H26F3N5O5
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| Molecular Weight |
605.573
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| Canonical SMILES |
CNC(=O)[C@H](CCc1ccccc1)NC(=O)C(O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C31H26F3N5O5/c1-35-28(41)22(17-12-18-8-4-2-5-9-18)36-29(42)25(40)20-13-15-21(16-14-20)27-37-30(44-39-27)26-23(31(32,33)34)24(38-43-26)19-10-6-3-7-11-19/h2-11,13-16,22,25,40H,12,17H2,1H3,(H,35,41)(H,36,42)/t22-,25?/m0/s1
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| InChIKey |
CVFPVSSFDBNMHH-XADRRFQNSA-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