General Information of the Compound
| Compound ID |
CP0419871
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| Compound Name |
US9187424, 41
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| Structure |
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| Formula |
C27H22F4N2O3
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| Molecular Weight |
498.476
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| Canonical SMILES |
COc1ccc(cc1)C1(CC(=C(C(=O)Nc2ccc(F)cc2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F4N2O3/c1-16-3-5-17(6-4-16)22-15-26(27(29,30)31,18-7-13-21(36-2)14-8-18)33-25(35)23(22)24(34)32-20-11-9-19(28)10-12-20/h3-14H,15H2,1-2H3,(H,32,34)(H,33,35)
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| InChIKey |
GKGZTRFCNASLKC-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