General Information of the Compound
| Compound ID |
CP0677444
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| Compound Name |
Valethamate Bromide
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| Structure |
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| Formula |
C19H32BrNO2
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| Molecular Weight |
386.374
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| Canonical SMILES |
CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
CEJGGHKJHDHLAZ-UHFFFAOYSA-M
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| CAS |
90-22-2
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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