General Information of the Compound
| Compound ID |
CP0233072
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| Compound Name |
US9546153, ex. 286
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| Structure |
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| Formula |
C21H27FN6O2
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| Molecular Weight |
414.485
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccn3nccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
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| InChI |
InChI=1S/C21H27FN6O2/c1-13(2)26-17-10-19(27-14-6-8-28-15(9-14)5-7-25-28)23-11-16(17)20(29)24-12-18(22)21(3,4)30/h5-11,13,18,30H,12H2,1-4H3,(H,24,29)(H2,23,26,27)/t18-/m1/s1
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| InChIKey |
NJFZVTRBFOQANG-GOSISDBHSA-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