General Information of the Compound
| Compound ID |
CP0529234
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| Compound Name |
US8969325, 49
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| Structure |
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| Formula |
C22H23F3N4O4
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| Molecular Weight |
464.444
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc34)cc2NC1=O
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| InChI |
InChI=1S/C22H23F3N4O4/c23-11-22(12-24)9-18(16-7-14(25)2-4-19(16)33-22)27-20(31)26-15-3-1-13-10-29(5-6-30)21(32)28-17(13)8-15/h1-4,7-8,18,30H,5-6,9-12H2,(H,28,32)(H2,26,27,31)/t18-/m1/s1
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| InChIKey |
JBAMMZWZKAYODG-GOSISDBHSA-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