General Information of the Compound
| Compound ID |
CP0528249
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| Compound Name |
methyl (2R)-3-benzylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
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| Structure |
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| Formula |
C21H25NO6S
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| Molecular Weight |
419.499
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| Canonical SMILES |
COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C21H25NO6S/c1-25-17-10-15(11-18(26-2)19(17)27-3)20(23)22-16(21(24)28-4)13-29-12-14-8-6-5-7-9-14/h5-11,16H,12-13H2,1-4H3,(H,22,23)/t16-/m0/s1
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| InChIKey |
BCEKMFDRYRTAMF-INIZCTEOSA-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