General Information of the Compound
| Compound ID |
CP0219859
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| Compound Name |
(2S)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropan-1-ol
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| Structure |
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| Formula |
C23H25NO2S
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| Molecular Weight |
379.525
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| Canonical SMILES |
COc1ccc(cc1)C(SC[C@@H](N)CO)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H25NO2S/c1-26-22-14-12-20(13-15-22)23(27-17-21(24)16-25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21,25H,16-17,24H2,1H3/t21-/m0/s1
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| InChIKey |
WKYHDWRETJHQFE-NRFANRHFSA-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