Linker Information
General Information of This Linker
| Linker ID |
LIN0XDNGE
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| Linker Name |
CN117750982A ADC61 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 |
C100H148N26O12
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| Isosmiles |
C=CC1=CC(C=C)=NC(NCCCC(NCCN(CC(NCCN(CCN(CC(NCCCCCN(CCOCC#C)CCOCC#C)=O)CCNC(CN(CCNC(CCCNC2=NC(C=C)=CC(C=C)=N2)=O)CCNC(CCCNC3=NC(C=C)=CC(C=C)=N3)=O)=O)CC(NCCCCCN(CCOCC#C)CCOCC#C)=O)=O)CCNC(CCCNC4=NC(C=C)=CC(C=C)=N4)=O)=O)=N1
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| InChI |
InChI=1S/C100H148N26O12/c1-13-65-135-69-61-121(62-70-136-66-14-2)51-29-25-27-39-101-93(131)79-125(57-49-107-95(133)77-123(53-45-103-89(127)35-31-41-109-97-113-81(17-5)73-82(18-6)114-97)54-46-104-90(128)36-32-42-110-98-115-83(19-7)74-84(20-8)116-98)59-60-126(80-94(132)102-40-28-26-30-52-122(63-71-137-67-15-3)64-72-138-68-16-4)58-50-108-96(134)78-124(55-47-105-91(129)37-33-43-111-99-117-85(21-9)75-86(22-10)118-99)56-48-106-92(130)38-34-44-112-100-119-87(23-11)76-88(24-12)120-100/h1-4,17-24,73-76H,5-12,25-72,77-80H2,(H,101,131)(H,102,132)(H,103,127)(H,104,128)(H,105,129)(H,106,130)(H,107,133)(H,108,134)(H,109,113,114)(H,110,115,116)(H,111,117,118)(H,112,119,120)
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| InChIKey |
WMSIBWPPBBBMLA-UHFFFAOYSA-N
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| Pharmaceutical Properties |
Molecule Weight
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1906.454
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Polar area
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440.4
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Complexity
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.
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xlogp Value
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4.541
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Heavy Count
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138
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Rot Bonds
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85
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Hbond acc
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30
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Hbond Donor
|
12
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Each Antibody-drug Conjugate Related to This Linker
