General Information of the Compound
| Compound ID |
CP0525600
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| Compound Name |
US10022352, Compound 313
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| Structure |
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| Formula |
C24H21F2N3O3
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| Molecular Weight |
437.446
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| Canonical SMILES |
CC(C)(C)c1cc2c(C#N)c(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)ccc2[nH]1
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| InChI |
InChI=1S/C24H21F2N3O3/c1-22(2,3)20-11-14-15(12-27)17(6-5-16(14)28-20)29-21(30)23(8-9-23)13-4-7-18-19(10-13)32-24(25,26)31-18/h4-7,10-11,28H,8-9H2,1-3H3,(H,29,30)
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| InChIKey |
PXNLRUBWKMLYLQ-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