General Information of the Compound
| Compound ID |
CP0563937
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| Compound Name |
US8969325, 269
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| Structure |
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| Formula |
C23H24FN3O3
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| Molecular Weight |
409.461
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc34)cc12
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| InChI |
InChI=1S/C23H24FN3O3/c1-27-19-12-16(6-3-14(19)4-8-21(27)28)25-22(29)26-18-13-23(9-2-10-23)30-20-7-5-15(24)11-17(18)20/h3,5-7,11-12,18H,2,4,8-10,13H2,1H3,(H2,25,26,29)/t18-/m1/s1
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| InChIKey |
MWZDLDGIEWWGIU-GOSISDBHSA-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