General Information of the Compound
| Compound ID |
CP0103354
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| Compound Name |
(S)-2-Amino-3-(1H-indol-3-yl)-propionic acid 3,5-dimethyl-benzyl ester
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
Cc1cc(C)cc(COC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c1
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| InChI |
InChI=1S/C20H22N2O2/c1-13-7-14(2)9-15(8-13)12-24-20(23)18(21)10-16-11-22-19-6-4-3-5-17(16)19/h3-9,11,18,22H,10,12,21H2,1-2H3/t18-/m0/s1
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| InChIKey |
RGUDXLHTEUZZSX-SFHVURJKSA-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