General Information of the Compound
| Compound ID |
CP0520705
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| Compound Name |
US8969325, 55
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| Structure |
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| Formula |
C20H21FN4O3
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| Molecular Weight |
384.411
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc34)cc2NC1=O
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| InChI |
InChI=1S/C20H21FN4O3/c21-14-3-5-16-12(9-14)2-6-17(16)23-19(27)22-15-4-1-13-11-25(7-8-26)20(28)24-18(13)10-15/h1,3-5,9-10,17,26H,2,6-8,11H2,(H,24,28)(H2,22,23,27)/t17-/m1/s1
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| InChIKey |
PAIFRZGBNIWMFD-QGZVFWFLSA-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