General Information of the Compound
| Compound ID |
CP0476231
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| Compound Name |
(2S)-2-[[(2S)-2-amino-4-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanylbutanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C42H80N2O8S
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| Molecular Weight |
773.175
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C42H80N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(46)51-34-36(35-53-32-31-37(43)41(48)44-38(33-45)42(49)50)52-40(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-38,45H,3-35,43H2,1-2H3,(H,44,48)(H,49,50)/t36-,37+,38+/m1/s1
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| InChIKey |
CPHJJSDJSJBIOD-XWTVRQILSA-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