General Information of the Compound
| Compound ID |
CP0551344
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| Compound Name |
US8969325, 153
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| Structure |
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| Formula |
C21H20F4N4O3
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| Molecular Weight |
452.408
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cc(F)cc34)cccc12
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| InChI |
InChI=1S/C21H20F4N4O3/c1-29-17-4-2-3-15(13(17)8-26-20(29)31)27-19(30)28-16-7-21(9-22,10-23)32-18-12(16)5-11(24)6-14(18)25/h2-6,16H,7-10H2,1H3,(H,26,31)(H2,27,28,30)/t16-/m1/s1
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| InChIKey |
UHZPZFHAXSAGIS-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