General Information of the Compound
| Compound ID |
CP0407372
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| Compound Name |
US9187424, 108
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
CCCCCCc1cnc(o1)C1(C)CC(=C(C#N)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C23H27N3O2/c1-4-5-6-7-8-18-15-25-22(28-18)23(3)13-19(20(14-24)21(27)26-23)17-11-9-16(2)10-12-17/h9-12,15H,4-8,13H2,1-3H3,(H,26,27)
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| InChIKey |
ISZSURBMZODVKM-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