General Information of the Compound
| Compound ID |
CP0563074
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| Compound Name |
US8906911, 23
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| Structure |
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| Formula |
C28H38F3N3O3
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| Molecular Weight |
521.624
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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]1CN2c1cccc(c1C)C(F)(F)F
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| InChI |
InChI=1S/C28H38F3N3O3/c1-17-22(28(29,30)31)6-3-7-24(17)33-14-21-12-20(33)15-34(21)26(35)27-9-4-5-18(27)11-19(13-27)32-23-8-10-37-16-25(23)36-2/h3,6-7,18-21,23,25,32H,4-5,8-16H2,1-2H3/t18-,19-,20+,21+,23+,25-,27-/m1/s1
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| InChIKey |
BCKGFYIRWFCIOP-BHDKNMHBSA-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