General Information of the Compound
| Compound ID |
CP0574009
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| Compound Name |
US9428456, 1.183
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| Structure |
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| Formula |
C27H33F3N4O2
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| Molecular Weight |
502.581
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccc(nc2)C(F)(F)F)c1
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| InChI |
InChI=1S/C27H33F3N4O2/c1-18(34-14-12-19(13-15-34)25(35)32-22-7-3-2-4-8-22)20-6-5-9-23(16-20)33-26(36)21-10-11-24(31-17-21)27(28,29)30/h5-6,9-11,16-19,22H,2-4,7-8,12-15H2,1H3,(H,32,35)(H,33,36)
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| InChIKey |
HHTGPALIBGPSEQ-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