General Information of the Compound
| Compound ID |
CP0156010
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| Compound Name |
(2R)-2-amino-3-[(3-ethyl-4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid
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| Structure |
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| Formula |
C25H27NO2S
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| Molecular Weight |
405.563
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| Canonical SMILES |
CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H27NO2S/c1-3-19-16-22(15-14-18(19)2)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-17-23(26)24(27)28/h4-16,23H,3,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1
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| InChIKey |
ISYSJVUFTUUSTF-QHCPKHFHSA-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