General Information of the Compound
| Compound ID |
CP0522810
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| Compound Name |
US10022352, Compound 311
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| Structure |
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| Formula |
C27H29F3N2O6
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| Molecular Weight |
534.531
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| Canonical SMILES |
CC(C)(CCO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1C[C@@H](O)CO
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| InChI |
InChI=1S/C27H29F3N2O6/c1-25(2,7-8-33)23-10-15-9-19(18(28)12-20(15)32(23)13-17(35)14-34)31-24(36)26(5-6-26)16-3-4-21-22(11-16)38-27(29,30)37-21/h3-4,9-12,17,33-35H,5-8,13-14H2,1-2H3,(H,31,36)/t17-/m1/s1
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| InChIKey |
USCGZNFVTQUWJY-QGZVFWFLSA-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