General Information of the Compound
| Compound ID |
CP0399590
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| Compound Name |
2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(4-chloro-phenyl)-isonicotinamide
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| Structure |
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| Formula |
C30H30ClN3O3
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| Molecular Weight |
516.041
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| Canonical SMILES |
Clc1ccc(NC(=O)c2ccnc(NC(=O)COc3ccc(cc3)C34CC5CC(CC(C5)C3)C4)c2)cc1
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| InChI |
InChI=1S/C30H30ClN3O3/c31-24-3-5-25(6-4-24)33-29(36)22-9-10-32-27(14-22)34-28(35)18-37-26-7-1-23(2-8-26)30-15-19-11-20(16-30)13-21(12-19)17-30/h1-10,14,19-21H,11-13,15-18H2,(H,33,36)(H,32,34,35)
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| InChIKey |
KXAKUYHOMVNFBQ-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
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha