General Information of the Compound
| Compound ID |
CP0450182
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| Compound Name |
US8969325, 18
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| Synonyms |
PMID25666693-Compound-33
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| Structure |
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3C[C@@](C)(Oc4ccccc34)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C21H21F3N4O3/c1-20(21(22,23)24)10-16(14-5-3-4-6-17(14)31-20)26-18(29)25-13-8-7-12-11-28(2)19(30)27-15(12)9-13/h3-9,16H,10-11H2,1-2H3,(H,27,30)(H2,25,26,29)/t16-,20-/m1/s1
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| InChIKey |
OFCQSAHGUNDUTK-OXQOHEQNSA-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
Clinical Information about the Compound