General Information of the Compound
| Compound ID |
CP0391313
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| Compound Name |
2-methoxyethyl 3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]benzoate
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| Structure |
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| Formula |
C29H33NO5
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| Molecular Weight |
475.585
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| Canonical SMILES |
COCCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C29H33NO5/c1-33-11-12-35-28(32)23-3-2-4-25(16-23)30-27(31)9-10-34-26-7-5-24(6-8-26)29-17-20-13-21(18-29)15-22(14-20)19-29/h2-10,16,20-22H,11-15,17-19H2,1H3,(H,30,31)/b10-9+
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| InChIKey |
VEOHLRFFKIXRTP-MDZDMXLPSA-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