General Information of the Compound
| Compound ID |
CP0244996
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| Compound Name |
US11332473, Compound 1.249
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| Structure |
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| Formula |
C25H28FN7O2
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| Molecular Weight |
477.544
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| Canonical SMILES |
CC(C)n1n(-c2ccc(F)c(n2)C(C)(C)O)c2nc(Nc3ccc4CNCCc4c3)ncc2c1=O
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| InChI |
InChI=1S/C25H28FN7O2/c1-14(2)32-23(34)18-13-28-24(29-17-6-5-16-12-27-10-9-15(16)11-17)31-22(18)33(32)20-8-7-19(26)21(30-20)25(3,4)35/h5-8,11,13-14,27,35H,9-10,12H2,1-4H3,(H,28,29,31)
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| InChIKey |
KOPURAIBHTWXCN-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