Linker Information
General Information of This Linker
| Linker ID |
LIN0NYTUV
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| Linker Name |
CN119072334A+ThioBridge⑩-Glu- (Val-Cit-PAB-MMáE)-PEG (24u)+Linker
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| Linker Type |
Unclear
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| Antibody-Linker Relation |
Unclear
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| Structure |
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| Formula |
C97H157N7O36S2
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| Isosmiles |
CC1=CC=C(S(CC(CS(C2=CC=C(C)C=C2)(=O)=O)C(C3=CC=C(C(N[C@@H](CCC(N[C@@H](C(N[C@@H](CCCNC(N)=O)C(NC4=CC=C(CO)C=C4)=O)=O)C(C)C)=O)C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)=O)C=C3)=O)(=O)=O)C=C1
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| InChI |
InChI=1S/C97H157N7O36S2/c1-78(2)91(96(111)103-88(7-6-26-100-97(98)112)95(110)101-85-18-12-81(75-105)13-19-85)104-90(106)25-24-89(102-93(108)83-16-14-82(15-17-83)92(107)84(76-141(113,114)86-20-8-79(3)9-21-86)77-142(115,116)87-22-10-80(4)11-23-87)94(109)99-27-28-118-31-32-120-35-36-122-39-40-124-43-44-126-47-48-128-51-52-130-55-56-132-59-60-134-63-64-136-67-68-138-71-72-140-74-73-139-70-69-137-66-65-135-62-61-133-58-57-131-54-53-129-50-49-127-46-45-125-42-41-123-38-37-121-34-33-119-30-29-117-5/h8-23,78,84,88-89,91,105H,6-7,24-77H2,1-5H3,(H,99,109)(H,101,110)(H,102,108)(H,103,111)(H,104,106)(H3,98,100,112)/t88-,89-,91+/m0/s1
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| InChIKey |
DPMVMGKQTLMIQM-RHFGZRCKSA-N
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| Pharmaceutical Properties |
Molecule Weight
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2061.47
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Polar area
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527.72
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Complexity
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.
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xlogp Value
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3.27824
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Heavy Count
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142
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Rot Bonds
|
97
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Hbond acc
|
36
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Hbond Donor
|
8
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Each Antibody-drug Conjugate Related to This Linker
