General Information of the Compound
| Compound ID |
CP0524915
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| Compound Name |
[(2R)-3-[(3S)-3-amino-4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-2-methyl-4-oxobutan-2-yl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
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| Structure |
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| Formula |
C44H84N2O8S
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| Molecular Weight |
801.229
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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)OC)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C44H84N2O8S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(48)53-35-37(36-55-44(3,4)41(45)42(50)46-38(34-47)43(51)52-5)54-40(49)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h37-38,41,47H,6-36,45H2,1-5H3,(H,46,50)/t37-,38+,41+/m1/s1
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| InChIKey |
SKSDWZSMRZFLKV-GWELZFCUSA-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