General Information of the Compound
| Compound ID |
CP0399409
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| Compound Name |
[(2R)-2-hexadecanoyloxy-3-[3-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-3-oxopropyl]sulfanylpropyl] hexadecanoate
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| Structure |
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| Formula |
C42H79NO8S
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| Molecular Weight |
758.16
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCCC(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C42H79NO8S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)50-35-37(36-52-33-32-39(45)43-38(34-44)42(48)49-3)51-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37-38,44H,4-36H2,1-3H3,(H,43,45)/t37-,38+/m1/s1
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| InChIKey |
UUINSZUMEMLJHU-AMAPPZPBSA-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