General Information of the Compound
| Compound ID |
CP0529508
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| Compound Name |
US9340500, I-065
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| Structure |
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| Formula |
C33H34F3N3O4
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| Molecular Weight |
593.646
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| Canonical SMILES |
COc1ccc(OC)c(CC(=O)N(C)CCCn2c(C)c(cc2-c2ccccc2)C(=O)Nc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C33H34F3N3O4/c1-22-28(32(41)37-26-13-8-12-25(20-26)33(34,35)36)21-29(23-10-6-5-7-11-23)39(22)17-9-16-38(2)31(40)19-24-18-27(42-3)14-15-30(24)43-4/h5-8,10-15,18,20-21H,9,16-17,19H2,1-4H3,(H,37,41)
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| InChIKey |
XTKGITQEHMSPCR-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