General Information of the Compound
| Compound ID |
CP0400468
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C43H82N2O8S
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| Molecular Weight |
787.202
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC(C)(C)[C@H](N)C(=O)N[C@@H](CO)C(O)=O)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C43H82N2O8S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(47)52-34-36(35-54-43(3,4)40(44)41(49)45-37(33-46)42(50)51)53-39(48)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36-37,40,46H,5-35,44H2,1-4H3,(H,45,49)(H,50,51)/t36-,37+,40-/m1/s1
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| InChIKey |
OWUGZJJNOSYSTR-RRRSLPDISA-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