General Information of the Compound
| Compound ID |
CP0563401
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| Compound Name |
US9340500, I-021
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| Structure |
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| Formula |
C25H27F3N4O2
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| Molecular Weight |
472.511
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| Canonical SMILES |
Cc1c(cc(-c2cccnc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N4O2/c1-18-22(24(33)30-21-7-2-6-20(15-21)25(26,27)28)16-23(19-5-3-8-29-17-19)32(18)10-4-9-31-11-13-34-14-12-31/h2-3,5-8,15-17H,4,9-14H2,1H3,(H,30,33)
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| InChIKey |
HUWNOLMUAKUFTC-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