General Information of the Compound
| Compound ID |
CP0937332
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| Compound Name |
SID56463670
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| Synonyms |
2FL3530AF2
53308-83-1
CAS-53308-83-1
DSSTox_CID_25780
DSSTox_GSID_45780
DSSTox_RID_81122
L-NMMA acetate
N-omega-Monomethyl-L-arginine monoacetate, 99%
SMR000449329
Tilarginine acetate
UNII-2FL3530AF2
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| Structure |
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| Formula |
C9H20N4O4
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| Molecular Weight |
248.283
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| Canonical SMILES |
CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O
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| InChI |
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
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| InChIKey |
IKPNWIGTWUZCKM-JEDNCBNOSA-N
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| CAS |
53308-83-1
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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