General Information of the Compound
| Compound ID |
CP0561113
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| Compound Name |
US8822510, 88
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| Structure |
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| Formula |
C28H28F3N3O3
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| Molecular Weight |
511.544
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(\C=C\C3(CCCCC3)c3ccc(cc3)C(F)(F)F)n2)C1
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| InChI |
InChI=1S/C28H28F3N3O3/c29-28(30,31)23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-32-25(33-37-24)20-6-4-19(5-7-20)16-34-17-21(18-34)26(35)36/h4-12,15,21H,1-3,13-14,16-18H2,(H,35,36)/b15-12+
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| InChIKey |
IKUMCHMGGIMNOK-NTCAYCPXSA-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