General Information of the Compound
| Compound ID |
CP0529233
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| Compound Name |
US8969325, 9
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| Structure |
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| Formula |
C21H22F2N4O3
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| Molecular Weight |
416.428
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc34)cccc12
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| InChI |
InChI=1S/C21H22F2N4O3/c1-27-17-7-4-6-15(14(17)10-24-20(27)29)25-19(28)26-16-9-21(11-22,12-23)30-18-8-3-2-5-13(16)18/h2-8,16H,9-12H2,1H3,(H,24,29)(H2,25,26,28)/t16-/m1/s1
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| InChIKey |
WUSKXOZWVNSCIO-MRXNPFEDSA-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