General Information of the Compound
| Compound ID |
CP0446213
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| Compound Name |
[(2R)-3-[(2R)-3-[[2-[[(2R)-1-[3-[2-[2-[3-[[2-(2-amino-2-oxoethoxy)acetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-oxo-2-[[2-[2-oxo-2-[3-[2-[2-[3-(3-sulfanylpropanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetyl]amino]propyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
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| Structure |
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| Formula |
C74H138N8O21S2
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| Molecular Weight |
1540.087
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCS)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C74H138N8O21S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-71(90)102-55-62(103-72(91)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)60-105-61-64(82-70(89)59-101-58-69(88)78-38-31-42-96-45-49-98-48-44-94-40-29-36-76-66(85)35-52-104)74(93)80-53-67(86)81-63(54-83)73(92)79-39-32-43-97-47-51-99-50-46-95-41-30-37-77-68(87)57-100-56-65(75)84/h62-64,83,104H,3-61H2,1-2H3,(H2,75,84)(H,76,85)(H,77,87)(H,78,88)(H,79,92)(H,80,93)(H,81,86)(H,82,89)/t62-,63-,64+/m1/s1
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| InChIKey |
CAIOFMMHDOJFQR-JJGWWSOQSA-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