General Information of the Compound
| Compound ID |
CP0400465
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-3-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]acetyl]oxy-2-hexadecanoyloxypropyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C37H72N4O11S
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| Molecular Weight |
781.067
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCCCN)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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| InChI |
InChI=1S/C37H72N4O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-34(43)52-31(29-53-30-32(39)36(45)41-33(27-42)37(46)47)28-51-35(44)26-40-19-16-21-49-23-25-50-24-22-48-20-15-18-38/h31-33,40,42H,2-30,38-39H2,1H3,(H,41,45)(H,46,47)/t31-,32+,33+/m1/s1
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| InChIKey |
IQKRUWFHPMJWPE-CEUYOYMZSA-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