General Information of the Compound
| Compound ID |
CP0845486
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| Compound Name |
mebudipine
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| Synonyms |
BAY-n-6391
CHEMBL1095098
MEBUDIPINE
mebudipine
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| Structure |
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| Formula |
C20H24N2O6
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| Molecular Weight |
388.42
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C20H24N2O6/c1-11-15(18(23)27-6)17(13-8-7-9-14(10-13)22(25)26)16(12(2)21-11)19(24)28-20(3,4)5/h7-10,17,21H,1-6H3
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| InChIKey |
YXPRKGBMFPQBDH-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
Clinical Information about the Compound