General Information of the Compound
| Compound ID |
CP0561373
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| Compound Name |
US8969325, 282
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| Structure |
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| Formula |
C20H20FN3O3
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| Molecular Weight |
369.396
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| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4ccc(F)cc34)cc12
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| InChI |
InChI=1S/C20H20FN3O3/c1-24-17-11-14(5-2-12(17)3-7-19(24)25)22-20(26)23-16-8-9-27-18-6-4-13(21)10-15(16)18/h2,4-6,10-11,16H,3,7-9H2,1H3,(H2,22,23,26)/t16-/m1/s1
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| InChIKey |
AVHUWZAFSOFROT-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