Linker Information
General Information of This Linker
| Linker ID |
LIN0COLKK
|
|||||
|---|---|---|---|---|---|---|
| Linker Name |
CN110997010A ADC-21 linker
|
|||||
| Linker Type |
Uncleavable linker
|
|||||
| Antibody-Linker Relation |
Uncleavable
|
|||||
| Structure |
|
|||||
| Formula |
C118H181N19O38S2
|
|||||
| Isosmiles |
O=C(O)C(NC(C(NC(CCCCCN1C(CCC1=O)=O)=O)CSC(CC2=O)C(N2CC3CCC(C(NCC(N=N4)=CC4CCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@H](CCCCN)C(NC5=CC=C(C=C5)CO)=O)=O)=O)=O)=CC3)=O)=O)CSC(C6=O)CC(N6CC7CCC(C(NCC(N=N8)=CC8CCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@H](CCCCN)C(NC9=CC=C(C=C9)CO)=O)=O)=O)=O)=CC7)=O
|
|||||
| InChI |
InChI=1S/C118H181N19O38S2/c119-31-5-3-8-96(113(151)125-90-23-15-86(76-138)16-24-90)127-105(143)80-174-78-103(141)121-33-38-160-42-46-164-50-54-168-58-62-172-66-64-170-60-56-166-52-48-162-44-40-158-36-29-92-68-94(133-131-92)72-123-111(149)88-19-11-84(12-20-88)74-136-109(147)70-100(116(136)154)176-82-98(129-102(140)10-2-1-7-35-135-107(145)27-28-108(135)146)115(153)130-99(118(156)157)83-177-101-71-110(148)137(117(101)155)75-85-13-21-89(22-14-85)112(150)124-73-95-69-93(132-134-95)30-37-159-41-45-163-49-53-167-57-61-171-65-67-173-63-59-169-55-51-165-47-43-161-39-34-122-104(142)79-175-81-106(144)128-97(9-4-6-32-120)114(152)126-91-25-17-87(77-139)18-26-91/h15-19,21,23-26,68-69,84-85,92-93,96-101,138-139H,1-14,20,22,27-67,70-83,119-120H2,(H,121,141)(H,122,142)(H,123,149)(H,124,150)(H,125,151)(H,126,152)(H,127,143)(H,128,144)(H,129,140)(H,130,153)(H,156,157)/t84?,85?,92?,93?,96-,97-,98?,99?,100?,101?/m1/s1
|
|||||
| InChIKey |
DQEFHSQXCPOKHF-BYJWLIIPSA-N
|
|||||
| Pharmaceutical Properties |
Molecule Weight
|
2537.975
|
Polar area
|
748.52
|
||
|
Complexity
|
.
|
xlogp Value
|
1.3944
|
|||
|
Heavy Count
|
177
|
Rot Bonds
|
104
|
|||
|
Hbond acc
|
45
|
Hbond Donor
|
15
|
|||
Each Antibody-drug Conjugate Related to This Linker