General Information of This Linker
Linker ID
LIN0LEZOQ
Linker Name
Daratumumab-I-46-0.15 linker
Linker Type
Unclear
Antibody-Linker Relation
Unclear
Structure
Formula
C93H136N16O30S2
Isosmiles
CC([C@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N1)CC2=CNC3=CC=CC=C23)=O)CC4=CC(OC(CCOCCOCCOCCOCCOCCOCCOCCOCCN)=O)=CC=C4)=O)CC(C)C)=O)=O)CCC(O)=O)=O)CC(C)C)=O)C(N[C@H](C(N[C@@H](CSSC[C@H](NC([C@@H](NC(C)=O)CC(O)=O)=O)C(N[C@H](C1=O)C)=O)C(N[C@H](C(O)=O)[C@H](O)C)=O)=O)CC5=CNC6=CC=CC=C56)=O)C
InChI
InChI=1S/C93H136N16O30S2/c1-53(2)41-68-83(119)97-50-76(112)100-67(21-22-77(113)114)84(120)103-69(42-54(3)4)89(125)108-80(55(5)6)92(128)105-72(46-61-49-96-66-20-13-11-18-64(61)66)87(123)107-75(91(127)109-81(57(8)110)93(129)130)52-141-140-51-74(106-88(124)73(47-78(115)116)99-58(9)111)90(126)98-56(7)82(118)101-71(45-60-48-95-65-19-12-10-17-63(60)65)86(122)104-70(85(121)102-68)44-59-15-14-16-62(43-59)139-79(117)23-25-131-27-29-133-31-33-135-35-37-137-39-40-138-38-36-136-34-32-134-30-28-132-26-24-94/h10-20,43,48-49,53-57,67-75,80-81,95-96,110H,21-42,44-47,50-52,94H2,1-9H3,(H,97,119)(H,98,126)(H,99,111)(H,100,112)(H,101,118)(H,102,121)(H,103,120)(H,104,122)(H,105,128)(H,106,124)(H,107,123)(H,108,125)(H,109,127)(H,113,114)(H,115,116)(H,129,130)/t56-,57+,67-,68-,69-,70-,71-,72-,73-,74-,75-,80-,81-/m0/s1
InChIKey
IKLAIDPBPHXFNM-DWKYCZPVSA-N
Pharmaceutical Properties
Molecule Weight
2022.327
Polar area
668.17
Complexity
.
xlogp Value
-1.0142
Heavy Count
141
Rot Bonds
50
Hbond acc
30
Hbond Donor
20
Each Antibody-drug Conjugate Related to This Linker