General Information of the Compound
| Compound ID |
CP0412736
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| Compound Name |
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
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| Structure |
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| Formula |
C10H13NO3
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| Molecular Weight |
195.218
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| Canonical SMILES |
N[C@@H](Cc1cccc(CO)c1)C(O)=O
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| InChI |
InChI=1S/C10H13NO3/c11-9(10(13)14)5-7-2-1-3-8(4-7)6-12/h1-4,9,12H,5-6,11H2,(H,13,14)/t9-/m0/s1
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| InChIKey |
OGLFMTLLZNGZPP-VIFPVBQESA-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