General Information of the Compound
| Compound ID |
CP0463915
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| Compound Name |
US9206164, 79
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| Structure |
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| Formula |
C23H24FN5O3
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| Molecular Weight |
437.475
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3nc(OC)ccc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H24FN5O3/c1-4-17-15(11-21(30)31)19(5-2)29(28-17)12-14-7-6-13(10-16(14)24)22-25-18-8-9-20(32-3)26-23(18)27-22/h6-10H,4-5,11-12H2,1-3H3,(H,30,31)(H,25,26,27)
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| InChIKey |
CDPLOOLWFBLPJW-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