Linker Information
General Information of This Linker
| Linker ID |
LIN0SWQFR
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|---|---|---|---|---|---|---|
| Linker Name |
Cetuximab-I-38-0.31 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 |
C95H123FN14O27
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| Isosmiles |
CC([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(C)=O)=O)CO)=O)CC1=CC=C(O)C=C1)=O)CC2=CNC3=C2C=CC=C3)=O)CC4=CC=C(O)C=C4)=O)CC(O)=O)=O)C(NC(C(N[C@H](C(NCCOCCOCCOCCNC(C5=CC=C(OC(CCOCCOCCOCCOCCOCCOCCN)=O)C(F)=C5)=O)=O)CC6=CC=CC=C6)=O)CC7=CNC8=C7C=CC=C8)=O)C
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| InChI |
InChI=1S/C95H123FN14O27/c1-60(2)86(110-93(125)80(55-84(116)117)108-90(122)76(50-63-17-22-68(113)23-18-63)105-91(123)78(53-66-56-101-73-15-9-7-13-70(66)73)107-89(121)77(51-64-19-24-69(114)25-20-64)106-94(126)81(59-111)103-83(115)58-100-61(3)112)95(127)109-79(54-67-57-102-74-16-10-8-14-71(67)74)92(124)104-75(49-62-11-5-4-6-12-62)88(120)99-30-34-131-38-42-134-41-37-130-33-29-98-87(119)65-21-26-82(72(96)52-65)137-85(118)27-31-128-35-39-132-43-45-135-47-48-136-46-44-133-40-36-129-32-28-97/h4-26,52,56-57,60,75-81,86,101-102,111,113-114H,27-51,53-55,58-59,97H2,1-3H3,(H,98,119)(H,99,120)(H,100,112)(H,103,115)(H,104,124)(H,105,123)(H,106,126)(H,107,121)(H,108,122)(H,109,127)(H,110,125)(H,116,117)/t75-,76-,77-,78-,79?,80-,81-,86-/m0/s1
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| InChIKey |
VPVRLEYYYWHLGY-FJMNYBKVSA-N
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| Pharmaceutical Properties |
Molecule Weight
|
1912.098
|
Polar area
|
585.06
|
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|
Complexity
|
.
|
xlogp Value
|
0.8001
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|
Heavy Count
|
137
|
Rot Bonds
|
66
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|
Hbond acc
|
27
|
Hbond Donor
|
18
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Each Antibody-drug Conjugate Related to This Linker