General Information of the Compound
| Compound ID |
CP0531855
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| Compound Name |
US8791272, 2.36
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| Structure |
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| Formula |
C27H30F3N3O3
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| Molecular Weight |
501.549
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| Canonical SMILES |
CCCc1nn(Cc2ccc(NC(=O)c3ccc(cc3C)C(F)(F)F)cc2)c(C(C)C)c1CC(O)=O
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| InChI |
InChI=1S/C27H30F3N3O3/c1-5-6-23-22(14-24(34)35)25(16(2)3)33(32-23)15-18-7-10-20(11-8-18)31-26(36)21-12-9-19(13-17(21)4)27(28,29)30/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,36)(H,34,35)
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| InChIKey |
PATBJKGYAIQASN-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