General Information of the Compound
| Compound ID |
CP0435290
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| Compound Name |
methyl 4-[[[2-(2-adamantylamino)-2-oxoacetyl]amino]oxymethyl]benzoate
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| Structure |
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| Formula |
C21H26N2O5
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| Molecular Weight |
386.448
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| Canonical SMILES |
COC(=O)c1ccc(CONC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)cc1
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| InChI |
InChI=1S/C21H26N2O5/c1-27-21(26)15-4-2-12(3-5-15)11-28-23-20(25)19(24)22-18-16-7-13-6-14(9-16)10-17(18)8-13/h2-5,13-14,16-18H,6-11H2,1H3,(H,22,24)(H,23,25)
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| InChIKey |
ZAOXUBPMWFTDPO-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