General Information of the Compound
| Compound ID |
CP0488397
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| Compound Name |
US8791272, 2.16
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| Structure |
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| Formula |
C24H30F3N3O3
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| Molecular Weight |
465.516
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)C3CCC(CC3)C(F)(F)F)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H30F3N3O3/c1-3-20-19(13-22(31)32)21(4-2)30(29-20)14-15-5-11-18(12-6-15)28-23(33)16-7-9-17(10-8-16)24(25,26)27/h5-6,11-12,16-17H,3-4,7-10,13-14H2,1-2H3,(H,28,33)(H,31,32)
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| InChIKey |
ODRKQWBMEAYMCD-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