General Information of the Compound
| Compound ID |
CP0512372
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| Compound Name |
US9340500, I-059
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| Structure |
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| Formula |
C28H30F3N3O2
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| Molecular Weight |
497.561
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| Canonical SMILES |
CN(CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)C1CCC1
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| InChI |
InChI=1S/C28H30F3N3O2/c1-19-24(26(35)32-23-14-7-13-22(17-23)28(29,30)31)18-25(20-9-4-3-5-10-20)34(19)16-8-15-33(2)27(36)21-11-6-12-21/h3-5,7,9-10,13-14,17-18,21H,6,8,11-12,15-16H2,1-2H3,(H,32,35)
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| InChIKey |
JGZXCSQIMXBBQB-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