General Information of the Compound
| Compound ID |
CP0434361
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| Compound Name |
2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(2-pyridin-4-yl-ethyl)-isonicotinamide
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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)Nc1cc(ccn1)C(=O)NCCc1ccncc1
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| InChI |
InChI=1S/C31H34N4O3/c36-29(35-28-16-25(8-12-33-28)30(37)34-11-7-21-5-9-32-10-6-21)20-38-27-3-1-26(2-4-27)31-17-22-13-23(18-31)15-24(14-22)19-31/h1-6,8-10,12,16,22-24H,7,11,13-15,17-20H2,(H,34,37)(H,33,35,36)
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| InChIKey |
JBPPWJQAFFNTHJ-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