General Information of the Compound
| Compound ID |
CP0517928
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| Compound Name |
US9187424, 120
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| Structure |
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| Formula |
C28H28F6N2O3
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| Molecular Weight |
554.531
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NC2CCC2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F6N2O3/c1-17-6-8-18(9-7-17)22-16-26(28(32,33)34,36-25(38)23(22)24(37)35-20-4-2-5-20)19-10-12-21(13-11-19)39-15-3-14-27(29,30)31/h6-13,20H,2-5,14-16H2,1H3,(H,35,37)(H,36,38)
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| InChIKey |
BIAUNQRXZWUVQT-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