General Information of the Compound
| Compound ID |
CP0499535
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| Compound Name |
methyl 3-[[(E)-3-[4-(1-adamantyl)-2-methylphenoxy]prop-2-enoyl]amino]benzoate
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| Structure |
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)\C=C\Oc2ccc(cc2C)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C28H31NO4/c1-18-10-23(28-15-19-11-20(16-28)13-21(12-19)17-28)6-7-25(18)33-9-8-26(30)29-24-5-3-4-22(14-24)27(31)32-2/h3-10,14,19-21H,11-13,15-17H2,1-2H3,(H,29,30)/b9-8+
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| InChIKey |
GDHLUOJDHXETMM-CMDGGOBGSA-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