General Information of the Compound
| Compound ID |
CP0521159
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| Compound Name |
US8653125, Ic-11
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| Formula |
C27H30F3N3O3
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| Molecular Weight |
501.549
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(ccc2C#N)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H30F3N3O3/c1-17-15-33(16-18(2)35-17)23-9-7-22(8-10-23)32-26(34)19-4-11-24(12-5-19)36-25-13-21(27(28,29)30)6-3-20(25)14-31/h3,6-10,13,17-19,24H,4-5,11-12,15-16H2,1-2H3,(H,32,34)/t17-,18+,19-,24+
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| InChIKey |
XFBXWXXATGSMIO-KSNQQSQUSA-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