General Information of the Compound
| Compound ID |
CP0386959
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| Compound Name |
methyl N-[4-[3-(4-cyanophenyl)-1-adamantyl]phenyl]-N-methylcarbamate
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| Structure |
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| Formula |
C26H28N2O2
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| Molecular Weight |
400.522
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| Canonical SMILES |
COC(=O)N(C)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2
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| InChI |
InChI=1S/C26H28N2O2/c1-28(24(29)30-2)23-9-7-22(8-10-23)26-14-19-11-20(15-26)13-25(12-19,17-26)21-5-3-18(16-27)4-6-21/h3-10,19-20H,11-15,17H2,1-2H3
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| InChIKey |
SLJCLXGBSSAVTF-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