General Information of the Compound
| Compound ID |
CP0499428
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| Compound Name |
2-(dimethylamino)ethyl 3-[[(E)-3-[4-(1-adamantyl)phenoxy]prop-2-enoyl]amino]benzoate
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| Structure |
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| Formula |
C30H36N2O4
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| Molecular Weight |
488.628
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| Canonical SMILES |
CN(C)CCOC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C30H36N2O4/c1-32(2)11-13-36-29(34)24-4-3-5-26(17-24)31-28(33)10-12-35-27-8-6-25(7-9-27)30-18-21-14-22(19-30)16-23(15-21)20-30/h3-10,12,17,21-23H,11,13-16,18-20H2,1-2H3,(H,31,33)/b12-10+
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| InChIKey |
YTJMDIQMCHUZKC-ZRDIBKRKSA-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