General Information of the Compound
| Compound ID |
CP0476230
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| Compound Name |
(2S)-2-amino-5-[[(2R)-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-1-oxo-1-[(2-oxo-2-propan-2-yloxyethyl)amino]propan-2-yl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C48H89N3O10S
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| Molecular Weight |
900.318
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C48H89N3O10S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(53)59-36-40(61-45(54)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)37-62-38-42(47(56)50-35-46(55)60-39(3)4)51-43(52)34-33-41(49)48(57)58/h39-42H,5-38,49H2,1-4H3,(H,50,56)(H,51,52)(H,57,58)/t40-,41+,42+/m1/s1
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| InChIKey |
SOZIXHPIILNOJN-IWSHAHEXSA-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