Linker Information
General Information of This Linker
| Linker ID |
LIN0PMNUT
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| Name |
BR112024020733A2 ADC4 Linker
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| Linker Type |
Uncleavable linker
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| Antibody-Linker Relation |
Uncleavable
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| Structure |
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| Formula |
C93H117N11O32P2
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| Isosmiles |
C=C(CN1C(C2=CC(OC)=C(OCCCCCOC3=C(OC)C=C(C4=O)C(N(C(O)[C@]5([H])CC(CN54)=C)C(OCC6=CC(C(NCCCNC(CCOCCOCCOCCOCCC(NCCC(N7C8=C(C(N=NN9CCC/C(C)=C/CC/C(C)=C/COP(OP(O)(O)=O)(O)=O)=C9C%10=C(C=CC=C%10)C7)C=CC=C8)=O)=O)=O)=O)=C(O[C@H]%11C(O)=C(O)[C@H](O)[C@H](O%11)C(O)=O)C=C6)=O)=C3)C=C2N%12)=O)C[C@@]1([H])C%12O
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| InChI |
InChI=1S/C93H117N11O32P2/c1-56(17-14-18-57(2)27-38-133-138(122,123)136-137(119,120)121)19-15-33-103-81-62-21-9-8-20-61(62)54-100(68-23-11-10-22-63(68)80(81)98-99-103)79(107)26-32-95-78(106)29-37-127-40-42-129-44-43-128-41-39-126-36-28-77(105)94-30-16-31-96-86(111)66-47-60(24-25-72(66)134-92-84(110)82(108)83(109)85(135-92)91(116)117)55-132-93(118)104-69-51-76(74(125-6)49-65(69)89(114)102-53-59(4)46-71(102)90(104)115)131-35-13-7-12-34-130-75-50-67-64(48-73(75)124-5)88(113)101-52-58(3)45-70(101)87(112)97-67/h8-11,17,20-25,27,47-51,70-71,83,85,87,90,92,97,108-110,112,115H,3-4,7,12-16,18-19,26,28-46,52-55H2,1-2,5-6H3,(H,94,105)(H,95,106)(H,96,111)(H,116,117)(H,122,123)(H2,119,120,121)/b56-17+,57-27+/t70-,71-,83-,85-,87?,90?,92+/m0/s1
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| InChIKey |
GVLMLBOMUIASBT-JMTREINJSA-N
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| Pharmaceutical Properties |
Molecule Weight
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1962.952
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Polar area
|
564.55
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Complexity
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.
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xlogp Value
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8.7098
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Heavy Count
|
138
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Rot Bonds
|
50
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Hbond acc
|
32
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Hbond Donor
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13
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Each Antibody-drug Conjugate Related to This Linker