General Information of the Compound
| Compound ID |
CP0530344
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| Compound Name |
methyl (2R)-2-[(4-hydroxybenzoyl)amino]-3-pent-4-enylsulfanylpropanoate
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| Structure |
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| Formula |
C16H21NO4S
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| Molecular Weight |
323.414
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| Canonical SMILES |
COC(=O)[C@H](CSCCCC=C)NC(=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C16H21NO4S/c1-3-4-5-10-22-11-14(16(20)21-2)17-15(19)12-6-8-13(18)9-7-12/h3,6-9,14,18H,1,4-5,10-11H2,2H3,(H,17,19)/t14-/m0/s1
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| InChIKey |
WNSGRVCIPUHKOV-AWEZNQCLSA-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