General Information of the Compound
| Compound ID |
CP0475440
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| Compound Name |
methyl (2S)-2-[[(2R)-2-amino-3-(2-hexadecoxy-2-oxoethyl)sulfanylpropanoyl]amino]-3-hydroxypropanoate
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| Structure |
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| Formula |
C25H48N2O6S
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| Molecular Weight |
504.734
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| Canonical SMILES |
CCCCCCCCCCCCCCCCOC(=O)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
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| InChI |
InChI=1S/C25H48N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33-23(29)20-34-19-21(26)24(30)27-22(18-28)25(31)32-2/h21-22,28H,3-20,26H2,1-2H3,(H,27,30)/t21-,22-/m0/s1
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| InChIKey |
ARHPFTMJQUADHN-VXKWHMMOSA-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