General Information of the Compound
| Compound ID |
CP0400589
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| Compound Name |
US8969325, 2
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| Structure |
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| Formula |
C21H21ClF2N4O3
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| Molecular Weight |
450.873
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc12
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| InChI |
InChI=1S/C21H21ClF2N4O3/c1-28-17-4-2-3-15(14(17)9-25-20(28)30)26-19(29)27-16-8-21(10-23,11-24)31-18-7-12(22)5-6-13(16)18/h2-7,16H,8-11H2,1H3,(H,25,30)(H2,26,27,29)/t16-/m1/s1
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| InChIKey |
JFJWXFXLCYCYSG-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