General Information of the Compound
| Compound ID |
CP0468427
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| Compound Name |
N1,N31-bis(32-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)-3,6,9,12,15,18,21,24,27,30-decaoxadotriacontyl)-4,7,10,13,16,19,22,25,28-nonaoxahentriacontane-1,31-diamide
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| Structure |
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| Formula |
C98H160Cl4N6O35S2
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| Molecular Weight |
2188.311
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| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C98H160Cl4N6O35S2/c1-107-79-91(89-75-85(99)77-95(101)93(89)81-107)83-5-3-7-87(73-83)144(111,112)105-13-19-119-25-31-125-37-43-131-49-55-137-61-67-142-71-69-140-65-59-135-53-47-129-41-35-123-29-23-117-17-11-103-97(109)9-15-115-21-27-121-33-39-127-45-51-133-57-63-139-64-58-134-52-46-128-40-34-122-28-22-116-16-10-98(110)104-12-18-118-24-30-124-36-42-130-48-54-136-60-66-141-70-72-143-68-62-138-56-50-132-44-38-126-32-26-120-20-14-106-145(113,114)88-8-4-6-84(74-88)92-80-108(2)82-94-90(92)76-86(100)78-96(94)102/h3-8,73-78,91-92,105-106H,9-72,79-82H2,1-2H3,(H,103,109)(H,104,110)
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| InChIKey |
BONDJRYXWCLHLN-UHFFFAOYSA-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