General Information of the Compound
| Compound ID |
CP0076958
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| Compound Name |
4-[(dimethylazaniumyl)amino]-4-oxobutanoate
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| Synonyms |
Alar
B 995
B-NINE
DMASA
Kylar
SADH
daminozide
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| Structure |
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| Formula |
C6H12N2O3
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| Molecular Weight |
160.173
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| Canonical SMILES |
CN(C)NC(=O)CCC(O)=O
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| InChI |
InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
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| InChIKey |
NOQGZXFMHARMLW-UHFFFAOYSA-N
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| CAS |
1861-26-3
1596-84-5
74913-15-8
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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