General Information of the Compound
| Compound ID |
CP0400761
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| Compound Name |
US9199981, F103
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| Structure |
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| Formula |
C23H19F4N5O3
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| Molecular Weight |
489.429
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| Canonical SMILES |
Cc1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(COC4CC(F)(F)C4(F)F)n3)n2c1
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| InChI |
InChI=1S/C23H19F4N5O3/c1-12-3-6-18-28-9-16(32(18)10-12)21(33)29-15-7-14(5-4-13(15)2)20-30-19(35-31-20)11-34-17-8-22(24,25)23(17,26)27/h3-7,9-10,17H,8,11H2,1-2H3,(H,29,33)
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| InChIKey |
FGTZOIOQFMYZPJ-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