General Information of the Compound
| Compound ID |
CP0468209
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| Compound Name |
US8906911, 31
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| Structure |
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| Formula |
C28H38F3N3O4
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| Molecular Weight |
537.623
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(OC)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H38F3N3O4/c1-36-24-6-5-19(12-22(24)28(29,30)31)33-14-21-11-20(33)15-34(21)26(35)27-8-3-4-17(27)10-18(13-27)32-23-7-9-38-16-25(23)37-2/h5-6,12,17-18,20-21,23,25,32H,3-4,7-11,13-16H2,1-2H3/t17-,18-,20+,21+,23+,25-,27-/m1/s1
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| InChIKey |
FQITWPCSDJQWLQ-VFZIOIJGSA-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