General Information of the Compound
| Compound ID |
CP0427981
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-bis[[2-[3-[2-(2-ethoxyethoxy)ethoxy]propylamino]acetyl]oxy]propyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C31H60N4O14S
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| Molecular Weight |
744.902
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| Canonical SMILES |
CCOCCOCCOCCCNCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CNCCCOCCOCCOCC
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| InChI |
InChI=1S/C31H60N4O14S/c1-3-42-11-13-46-17-15-44-9-5-7-33-19-28(37)48-22-25(23-50-24-26(32)30(39)35-27(21-36)31(40)41)49-29(38)20-34-8-6-10-45-16-18-47-14-12-43-4-2/h25-27,33-34,36H,3-24,32H2,1-2H3,(H,35,39)(H,40,41)/t25-,26+,27+/m1/s1
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| InChIKey |
OOPZRAWFTCGPMQ-PVHODMMVSA-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