General Information of the Compound
| Compound ID |
CP0468212
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| Compound Name |
US8906911, 38
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| Structure |
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| Formula |
C27H37F3N4O3
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| Molecular Weight |
522.612
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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]1CN2c1nccc(c1C)C(F)(F)F
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| InChI |
InChI=1S/C27H37F3N4O3/c1-16-21(27(28,29)30)5-8-31-24(16)33-13-20-11-19(33)14-34(20)25(35)26-7-3-4-17(26)10-18(12-26)32-22-6-9-37-15-23(22)36-2/h5,8,17-20,22-23,32H,3-4,6-7,9-15H2,1-2H3/t17-,18-,19+,20+,22+,23-,26-/m1/s1
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| InChIKey |
ULFCMIBDLVQYRA-SIRCMURCSA-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