General Information of the Compound
| Compound ID |
CP0535925
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| Compound Name |
US9340500, I-030
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| Structure |
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| Formula |
C28H32F3N3O3
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| Molecular Weight |
515.576
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H32F3N3O3/c1-19-23(25(35)32-22-14-9-13-21(17-22)28(29,30)31)18-24(20-11-7-6-8-12-20)34(19)16-10-15-33(5)26(36)37-27(2,3)4/h6-9,11-14,17-18H,10,15-16H2,1-5H3,(H,32,35)
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| InChIKey |
LGDCDHGRKAMAJW-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