General Information of the Compound
| Compound ID |
CP0462820
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| Compound Name |
US8906911, Compound A
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| Structure |
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| Formula |
C26H36F3N3O2
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| Molecular Weight |
479.587
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| Canonical SMILES |
CN(C1CC2CCCC2(C1)C(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)C1CCOCC1
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| InChI |
InChI=1S/C26H36F3N3O2/c1-30(21-8-15-34-16-9-21)23-17-20-3-2-10-25(20,18-23)24(33)32-13-11-31(12-14-32)22-6-4-19(5-7-22)26(27,28)29/h4-7,20-21,23H,2-3,8-18H2,1H3
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| InChIKey |
NNOBGKDPTAWVHZ-UHFFFAOYSA-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