General Information of the Compound
| Compound ID |
CP0556879
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| Compound Name |
US9199981, F176
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| Structure |
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| Formula |
C24H22F2N6O4
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| Molecular Weight |
496.474
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| Canonical SMILES |
COC(=O)NC1(CC(F)(F)C1)c1nc(no1)-c1ccc(C)c(NC(=O)c2cnc3cc(C)ccn23)c1
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| InChI |
InChI=1S/C24H22F2N6O4/c1-13-6-7-32-17(10-27-18(32)8-13)20(33)28-16-9-15(5-4-14(16)2)19-29-21(36-31-19)23(30-22(34)35-3)11-24(25,26)12-23/h4-10H,11-12H2,1-3H3,(H,28,33)(H,30,34)
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| InChIKey |
VMPUVVKGRPJUIX-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