General Information of the Compound
| Compound ID |
CP0481087
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| Compound Name |
US9340500, I-011
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| Structure |
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| Formula |
C28H26F3N3O
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| Molecular Weight |
477.53
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCNc1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N3O/c1-20-25(27(35)33-24-15-8-12-22(18-24)28(29,30)31)19-26(21-10-4-2-5-11-21)34(20)17-9-16-32-23-13-6-3-7-14-23/h2-8,10-15,18-19,32H,9,16-17H2,1H3,(H,33,35)
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| InChIKey |
JCAKUYSBSFCDMR-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