General Information of the Compound
| Compound ID |
CP0555109
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| Compound Name |
US8969325, 130
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| Structure |
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| Formula |
C20H19F2N3O4
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| Molecular Weight |
403.385
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| Canonical SMILES |
C[C@]1(C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccccc2O1)C(F)F
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| InChI |
InChI=1S/C20H19F2N3O4/c1-20(18(21)22)9-14(12-4-2-3-5-15(12)29-20)25-19(27)23-11-6-7-16-13(8-11)24-17(26)10-28-16/h2-8,14,18H,9-10H2,1H3,(H,24,26)(H2,23,25,27)/t14-,20+/m1/s1
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| InChIKey |
JPUKWXBMXKNSTR-VLIAUNLRSA-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