General Information of the Compound
| Compound ID |
CP0481091
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| Compound Name |
US9340500, I-064
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| Structure |
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| Formula |
C25H23Cl3F3N3O2
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| Molecular Weight |
560.831
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)C(Cl)(Cl)Cl
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| InChI |
InChI=1S/C25H23Cl3F3N3O2/c1-16-20(22(35)32-19-11-6-10-18(14-19)25(29,30)31)15-21(17-8-4-3-5-9-17)34(16)13-7-12-33(2)23(36)24(26,27)28/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,32,35)
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| InChIKey |
BZHXVBFVJKTEKM-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