General Information of the Compound
| Compound ID |
CP0454275
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| Compound Name |
5-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-furan-2-ylmethyl-nicotinamide
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| Structure |
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| Formula |
C29H31N3O4
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| Molecular Weight |
485.584
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| Canonical SMILES |
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cncc(c1)C(=O)NCc1ccco1
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| InChI |
InChI=1S/C29H31N3O4/c33-27(32-24-11-22(15-30-16-24)28(34)31-17-26-2-1-7-35-26)18-36-25-5-3-23(4-6-25)29-12-19-8-20(13-29)10-21(9-19)14-29/h1-7,11,15-16,19-21H,8-10,12-14,17-18H2,(H,31,34)(H,32,33)
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| InChIKey |
RHDUIDGQTRHIQT-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