General Information of the Compound
| Compound ID |
CP0544506
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| Compound Name |
US8835470, 152
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| Structure |
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| Formula |
C27H26F3N5O4
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| Molecular Weight |
541.53
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| Canonical SMILES |
O[C@@H](C(=O)NC[C@@H]1CCCC[C@H]1O)c1ccc(cc1)-c1noc(n1)-c1cnn(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C27H26F3N5O4/c28-27(29,30)23-20(15-32-35(23)19-7-2-1-3-8-19)26-33-24(34-39-26)17-12-10-16(11-13-17)22(37)25(38)31-14-18-6-4-5-9-21(18)36/h1-3,7-8,10-13,15,18,21-22,36-37H,4-6,9,14H2,(H,31,38)/t18-,21+,22+/m0/s1
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| InChIKey |
YUHTZSORWFXFTL-VLCRHTCISA-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