General Information of the Compound
| Compound ID |
CP0491401
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| Compound Name |
US8969325, 254
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| Structure |
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| Formula |
C22H22ClF2N3O3
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| Molecular Weight |
449.885
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| Canonical SMILES |
CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc12
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| InChI |
InChI=1S/C22H22ClF2N3O3/c1-28-18-4-2-3-16(14(18)7-8-20(28)29)26-21(30)27-17-10-22(11-24,12-25)31-19-9-13(23)5-6-15(17)19/h2-6,9,17H,7-8,10-12H2,1H3,(H2,26,27,30)/t17-/m1/s1
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| InChIKey |
GRTFESXXPZXVRV-QGZVFWFLSA-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