General Information of the Compound
| Compound ID |
CP0705277
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| Compound Name |
N-(4-(4-((1r,3r,5R,7S)-adamantan-2-ylidene(4-hydroxyphenyl)methyl)phenoxy)butyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C34H43NO3
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| Molecular Weight |
513.722
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| Canonical SMILES |
O=C(NCCCCOc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1)C1CCCCC1
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| InChI |
InChI=1S/C34H43NO3/c36-30-12-8-25(9-13-30)32(33-28-19-23-18-24(21-28)22-29(33)20-23)26-10-14-31(15-11-26)38-17-5-4-16-35-34(37)27-6-2-1-3-7-27/h8-15,23-24,27-29,36H,1-7,16-22H2,(H,35,37)
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| InChIKey |
AEFMRGJSSUNHIN-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