General Information of the Compound
| Compound ID |
CP0409662
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| Compound Name |
3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]-N-propan-2-ylbenzamide
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| Structure |
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| Formula |
C29H34N2O3
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| Molecular Weight |
458.602
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| Canonical SMILES |
CC(C)NC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C29H34N2O3/c1-19(2)30-28(33)23-4-3-5-25(15-23)31-27(32)10-11-34-26-8-6-24(7-9-26)29-16-20-12-21(17-29)14-22(13-20)18-29/h3-11,15,19-22H,12-14,16-18H2,1-2H3,(H,30,33)(H,31,32)/b11-10+
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| InChIKey |
FTQURIRKOKXEHU-ZHACJKMWSA-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