General Information of the Compound
| Compound ID |
CP0440841
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| Compound Name |
5-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(3-imidazol-1-yl-propyl)-nicotinamide
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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)Nc1cncc(c1)C(=O)NCCCn1ccnc1
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| InChI |
InChI=1S/C30H35N5O3/c36-28(34-26-13-24(17-32-18-26)29(37)33-6-1-8-35-9-7-31-20-35)19-38-27-4-2-25(3-5-27)30-14-21-10-22(15-30)12-23(11-21)16-30/h2-5,7,9,13,17-18,20-23H,1,6,8,10-12,14-16,19H2,(H,33,37)(H,34,36)
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| InChIKey |
APWXLRMFNDETFR-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