Linker Information
General Information of This Linker
| Linker ID |
LIN0PTQUV
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|---|---|---|---|---|---|---|
| Linker Name |
Daratumumab-I-35-0.3 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 |
C97H125FN14O27
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| Isosmiles |
CC(NCC(N[C@@H](CO)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@H](C(NC(CC2=CC=C(O)C=C2)C(N[C@H](C3=O)CC(N3[C@@H](C(C)C)C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(NCCOCCOCCOCCOCCNC(C5=CC=C(OC(CCOCCOCCOCCOCCOCCOCCN)=O)C(F)=C5)=O)=O)=O)CC6=CNC7=C6C=CC=C7)=O)=O)=O)=O)CC8=CNC9=C8C=CC=C9)=O)=O)=O)=O
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| InChI |
InChI=1S/C97H125FN14O27/c1-62(2)88(112-86(118)57-82(97(112)128)111-92(123)79(53-66-19-24-71(116)25-20-66)107-93(124)80(55-68-58-103-75-15-9-7-13-72(68)75)109-91(122)78(52-65-17-22-70(115)23-18-65)108-95(126)83(61-113)105-85(117)60-102-63(3)114)96(127)110-81(56-69-59-104-76-16-10-8-14-73(69)76)94(125)106-77(51-64-11-5-4-6-12-64)90(121)101-30-34-132-38-42-136-46-45-135-41-37-131-33-29-100-89(120)67-21-26-84(74(98)54-67)139-87(119)27-31-129-35-39-133-43-47-137-49-50-138-48-44-134-40-36-130-32-28-99/h4-26,54,58-59,62,77-83,88,103-104,113,115-116H,27-53,55-57,60-61,99H2,1-3H3,(H,100,120)(H,101,121)(H,102,114)(H,105,117)(H,106,125)(H,107,124)(H,108,126)(H,109,122)(H,110,127)(H,111,123)/t77-,78-,79?,80-,81-,82-,83-,88-/m0/s1
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| InChIKey |
HBNGQGVHXGDQDK-VRUUGRSLSA-N
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| Pharmaceutical Properties |
Molecule Weight
|
1938.136
|
Polar area
|
565.27
|
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Complexity
|
.
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xlogp Value
|
0.9847
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Heavy Count
|
139
|
Rot Bonds
|
66
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|
Hbond acc
|
28
|
Hbond Donor
|
16
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Each Antibody-drug Conjugate Related to This Linker