General Information of the Compound
| Compound ID |
CP0823713
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| Compound Name |
US9388171, II-23
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| Structure |
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| Formula |
C22H21FN4O2
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| Molecular Weight |
392.434
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| Canonical SMILES |
C[C@@H](CO)Nc1cc2cc(C(=O)NCc3cc4c(F)cccc4[nH]3)ccc2cn1
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| InChI |
InChI=1S/C22H21FN4O2/c1-13(12-28)26-21-8-16-7-14(5-6-15(16)10-24-21)22(29)25-11-17-9-18-19(23)3-2-4-20(18)27-17/h2-10,13,27-28H,11-12H2,1H3,(H,24,26)(H,25,29)/t13-/m0/s1
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| InChIKey |
FBECJFYYKBIJPC-ZDUSSCGKSA-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