General Information of the Compound
| Compound ID |
CP0556442
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| Compound Name |
US9187424, 177
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
CCCCCCCCNC(=O)C1(C)CC(=C(C#N)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C23H31N3O2/c1-4-5-6-7-8-9-14-25-22(28)23(3)15-19(20(16-24)21(27)26-23)18-12-10-17(2)11-13-18/h10-13H,4-9,14-15H2,1-3H3,(H,25,28)(H,26,27)
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| InChIKey |
BJAMUZGHZXLJGL-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