General Information of the Compound
| Compound ID |
CP0294916
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| Compound Name |
(S)-3-(aminomethyl)-5-methylhexanoic acid
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| Synonyms |
Pregabalin
Pregabalin (controlled-release, oral)
Pregabalin (controlled-release, oral), Pfizer
Pregabalin CR
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| Structure |
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| Formula |
C8H17NO2
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| Molecular Weight |
159.229
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| Canonical SMILES |
CC(C)C[C@H](CN)CC(O)=O
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| InChI |
InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
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| InChIKey |
AYXYPKUFHZROOJ-ZETCQYMHSA-N
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| CAS |
148553-50-8
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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