General Information of This Linker
Linker ID
LIN0VJOGV
Linker Name
CN110997010A ADC-13 linker
Linker Type
Uncleavable linker
Antibody-Linker Relation
Uncleavable
Structure
Formula
C141H214N26O44S3
Isosmiles
CC(C)[C@H](NC(CSCCC(N1CN(C(C=C)=O)CN(C(C=C)=O)C1)=O)=O)C(N[C@H](C(O)NC2=CC=C(COC(NC(CSC(CC3=O)C(N3CC4CCC(C(NCC(N=N5)=CC5CCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@H](CCCCN)C(NC6=CC=C(C=C6)CO)=O)=O)=O)=O)=CC4)=O)C(NC(C(O)=O)CSC(C7=O)CC(N7CC8CCC(C(NCC(N=N9)=CC9CCOCCOCCOCCOCCOCCOCCOCCOCCNC(COCC(N[C@H](CCCCN)C(NC%10=CC=C(C=C%10)CO)=O)=O)=O)=O)=CC8)=O)=O)=O)C=C2)CCCNC(N)=O)=O
InChI
InChI=1S/C141H214N26O44S3/c1-5-124(175)163-94-164(125(176)6-2)96-165(95-163)126(177)37-75-212-93-123(174)158-129(97(3)4)136(186)155-114(14-11-40-147-140(144)191)134(184)152-107-33-23-102(24-34-107)86-211-141(192)157-115(91-213-117-78-127(178)166(137(117)187)82-98-15-25-103(26-16-98)130(180)148-80-110-76-108(159-161-110)35-43-193-47-51-197-55-59-201-63-67-205-71-73-207-69-65-203-61-57-199-53-49-195-45-41-145-119(170)87-209-89-121(172)153-112(12-7-9-38-142)132(182)150-105-29-19-100(84-168)20-30-105)135(185)156-116(139(189)190)92-214-118-79-128(179)167(138(118)188)83-99-17-27-104(28-18-99)131(181)149-81-111-77-109(160-162-111)36-44-194-48-52-198-56-60-202-64-68-206-72-74-208-70-66-204-62-58-200-54-50-196-46-42-146-120(171)88-210-90-122(173)154-113(13-8-10-39-143)133(183)151-106-31-21-101(85-169)22-32-106/h5-6,19-25,27,29-34,76-77,97-99,108-109,112-118,129,134,152,168-169,184H,1-2,7-18,26,28,35-75,78-96,142-143H2,3-4H3,(H,145,170)(H,146,171)(H,148,180)(H,149,181)(H,150,182)(H,151,183)(H,153,172)(H,154,173)(H,155,186)(H,156,185)(H,157,192)(H,158,174)(H,189,190)(H3,144,147,191)/t98?,99?,108?,109?,112-,113-,114+,115?,116?,117?,118?,129+,134?/m1/s1
InChIKey
LKVPTEPRRTVDMK-KUNPTSAOSA-N
Pharmaceutical Properties
Molecule Weight
3073.602
Polar area
926.88
Complexity
.
xlogp Value
1.1668
Heavy Count
214
Rot Bonds
118
Hbond acc
53
Hbond Donor
21
Each Antibody-drug Conjugate Related to This Linker