General Information of the Compound
| Compound ID |
CP0481092
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| Compound Name |
US9340500, I-070
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| Structure |
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(C)=O
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| InChI |
InChI=1S/C25H26F3N3O2/c1-17-22(24(33)29-21-12-7-11-20(15-21)25(26,27)28)16-23(19-9-5-4-6-10-19)31(17)14-8-13-30(3)18(2)32/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,29,33)
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| InChIKey |
GLQOHZMCKNLAGM-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