General Information of the Compound
| Compound ID |
CP0533727
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| Compound Name |
US9346782, 8
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| Structure |
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| Formula |
C29H28ClF3N2O4
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| Molecular Weight |
561
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C#C)C1CN(C1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H28ClF3N2O4/c1-6-28(37,20-15-35(16-20)26(36)39-27(2,3)4)19-11-12-23-21(14-19)24(30)22(25(34-23)38-5)13-17-7-9-18(10-8-17)29(31,32)33/h1,7-12,14,20,37H,13,15-16H2,2-5H3
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| InChIKey |
KGQNXXWLTAQQPJ-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