General Information of the Compound
| Compound ID |
CP0213130
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| Compound Name |
US8680275, 156
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| Structure |
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| Formula |
C24H25FN6O2
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| Molecular Weight |
448.502
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| Canonical SMILES |
COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc(C)cc(C)n2)c1F
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| InChI |
InChI=1S/C24H25FN6O2/c1-14-11-15(2)29-24(28-14)31-12-16-7-10-30(13-18(16)31)23(32)20-17(22-26-8-4-9-27-22)5-6-19(33-3)21(20)25/h4-6,8-9,11,16,18H,7,10,12-13H2,1-3H3/t16-,18-/m0/s1
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| InChIKey |
RMYCLEOMFLPDCU-WMZOPIPTSA-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