General Information of the Compound
| Compound ID |
CP0967807
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| Compound Name |
US8993565, 39
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| Structure |
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| Formula |
C18H21FN4O4
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| Molecular Weight |
376.388
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| Canonical SMILES |
COc1cc(NC(=O)C(C)c2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F
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| InChI |
InChI=1S/C18H21FN4O4/c1-11(18(25)20-12-3-4-13(19)14(9-12)26-2)17-21-15(10-16(24)22-17)23-5-7-27-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,20,25)(H,21,22,24)
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| InChIKey |
ZZWCXKXAKCZIMC-UHFFFAOYSA-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