General Information of the Compound
| Compound ID |
CP0443868
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| Compound Name |
US8969325, 113
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| Structure |
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| Formula |
C20H20FN3O4
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| Molecular Weight |
385.395
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C20H20FN3O4/c1-20(2)9-15(13-7-11(21)3-5-16(13)28-20)24-19(26)22-12-4-6-17-14(8-12)23-18(25)10-27-17/h3-8,15H,9-10H2,1-2H3,(H,23,25)(H2,22,24,26)/t15-/m1/s1
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| InChIKey |
SRYLVBZZTYTLBH-OAHLLOKOSA-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