General Information of the Compound
| Compound ID |
CP0442349
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| Compound Name |
2-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(3-imidazol-1-yl-propyl)-isonicotinamide
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| Structure |
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| Formula |
C30H35N5O3
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| Molecular Weight |
513.642
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| Canonical SMILES |
O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cc(ccn1)C(=O)NCCCn1ccnc1
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| InChI |
InChI=1S/C30H35N5O3/c36-28(34-27-15-24(6-8-32-27)29(37)33-7-1-10-35-11-9-31-20-35)19-38-26-4-2-25(3-5-26)30-16-21-12-22(17-30)14-23(13-21)18-30/h2-6,8-9,11,15,20-23H,1,7,10,12-14,16-19H2,(H,33,37)(H,32,34,36)
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| InChIKey |
QUWBNMYILIJKRQ-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