General Information of the Compound
| Compound ID |
CP0419223
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| Compound Name |
US9340500, I-045
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| Structure |
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| Formula |
C26H28F3N3O3
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| Molecular Weight |
487.522
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| Canonical SMILES |
COCC(=O)N(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H28F3N3O3/c1-18-22(25(34)30-21-12-7-11-20(15-21)26(27,28)29)16-23(19-9-5-4-6-10-19)32(18)14-8-13-31(2)24(33)17-35-3/h4-7,9-12,15-16H,8,13-14,17H2,1-3H3,(H,30,34)
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| InChIKey |
BUOHTUAVNXTTQY-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