General Information of the Compound
| Compound ID |
CP0569097
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| Compound Name |
US9187424, 228
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| Structure |
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| Formula |
C30H30F6N4O3
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| Molecular Weight |
608.583
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC1=C(CC(NC1=O)(c1cnn(CCCCCC(F)(F)F)c1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C30H30F6N4O3/c1-19-6-8-20(9-7-19)24-16-28(30(34,35)36,22-17-37-40(18-22)15-5-3-4-14-29(31,32)33)39-27(42)25(24)38-26(41)21-10-12-23(43-2)13-11-21/h6-13,17-18H,3-5,14-16H2,1-2H3,(H,38,41)(H,39,42)
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| InChIKey |
INZQJFFDLLYUIU-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