General Information of the Compound
Compound ID |
CP0565601
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Compound Name |
US8906911, 17
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Structure |
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Formula |
C27H35F4N3O3
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Molecular Weight |
525.587
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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(c1F)C(F)(F)F
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InChI |
InChI=1S/C27H35F4N3O3/c1-36-23-15-37-9-7-21(23)32-17-10-16-4-3-8-26(16,12-17)25(35)34-14-18-11-19(34)13-33(18)22-6-2-5-20(24(22)28)27(29,30)31/h2,5-6,16-19,21,23,32H,3-4,7-15H2,1H3/t16-,17-,18+,19+,21+,23-,26-/m1/s1
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InChIKey |
RGABVCWZWGAKHB-ZRYQRBJQSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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