General Information of the Compound
| Compound ID |
CP0562154
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| Compound Name |
US8906911, 50
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| Structure |
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| Formula |
C28H35F6N3O3
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| Molecular Weight |
575.594
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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]1CN2c1cc(ccc1C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H35F6N3O3/c1-39-24-15-40-8-6-22(24)35-18-9-16-3-2-7-26(16,12-18)25(38)37-14-19-11-20(37)13-36(19)23-10-17(27(29,30)31)4-5-21(23)28(32,33)34/h4-5,10,16,18-20,22,24,35H,2-3,6-9,11-15H2,1H3/t16-,18-,19+,20+,22+,24-,26-/m1/s1
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| InChIKey |
WHTFFLUECZKSJK-WWYIOMCUSA-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