General Information of the Compound
| Compound ID |
CP0468208
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| Compound Name |
US8906911, 29
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| Structure |
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| Formula |
C27H36F3N3O4
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| Molecular Weight |
523.596
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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(OC(F)(F)F)c1
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| InChI |
InChI=1S/C27H36F3N3O4/c1-35-24-16-36-9-7-23(24)31-18-10-17-4-3-8-26(17,13-18)25(34)33-15-20-11-21(33)14-32(20)19-5-2-6-22(12-19)37-27(28,29)30/h2,5-6,12,17-18,20-21,23-24,31H,3-4,7-11,13-16H2,1H3/t17-,18-,20+,21+,23+,24-,26-/m1/s1
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| InChIKey |
CWIIAIOYSKNGAV-VFKWUGILSA-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