General Information of the Compound
| Compound ID |
CP0457924
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| Compound Name |
5-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(2-pyridin-4-yl-ethyl)-nicotinamide
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| Structure |
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| Formula |
C31H34N4O3
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| Molecular Weight |
510.638
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| Canonical SMILES |
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cncc(c1)C(=O)NCCc1ccncc1
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| InChI |
InChI=1S/C31H34N4O3/c36-29(35-27-14-25(18-33-19-27)30(37)34-10-7-21-5-8-32-9-6-21)20-38-28-3-1-26(2-4-28)31-15-22-11-23(16-31)13-24(12-22)17-31/h1-6,8-9,14,18-19,22-24H,7,10-13,15-17,20H2,(H,34,37)(H,35,36)
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| InChIKey |
PBAQWBCTWPMCBU-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