General Information of the Compound
| Compound ID |
CP0941762
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| Compound Name |
US9187424, 291
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| Structure |
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| Formula |
C28H26F3N5O
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| Molecular Weight |
505.544
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| Canonical SMILES |
Cc1ccc(C2=C(c3nn[nH]n3)C(=O)NC(c3ccc(C#CC4CCCCC4)cc3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C28H26F3N5O/c1-18-7-13-21(14-8-18)23-17-27(28(29,30)31,32-26(37)24(23)25-33-35-36-34-25)22-15-11-20(12-16-22)10-9-19-5-3-2-4-6-19/h7-8,11-16,19H,2-6,17H2,1H3,(H,32,37)(H,33,34,35,36)
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| InChIKey |
XDFIGNFWIQJYCN-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