Linker Information
General Information of This Linker
| Linker ID |
LIN0QQEMC
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|---|---|---|---|---|---|---|
| Linker Name |
Trastuzumab-GDP-D-P2/P2-P2-GGFG-Dxd Linker
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| Linker Type |
Cathepsin-cleavable linker
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| Antibody-Linker Relation |
Cleavable
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| Structure |
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| Formula |
C71H105N17O28
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| Isosmiles |
O=C(NCC(N[C@@H](CC1=CC=CC=C1)C(NCC(O)=O)=O)=O)CNC(CCOCCOCC(N=N2)=CN2CCOCCOCCN(C(CCOCCOCCN(N=N3)C=C3COCCOCCC(NCC(NCC(N[C@H](C(NCC(O)=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)CCNC(CCC(NC[C@H]5[C@@H](O)[C@@H](O)[C@H](O)[C@H](O5)O)=O)=O)=O
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| InChI |
InChI=1S/C71H105N17O28/c89-55(11-12-56(90)73-37-54-66(102)67(103)68(104)71(107)116-54)72-16-17-86(18-24-111-29-30-113-26-20-88-45-51(83-85-88)47-115-34-32-109-22-14-58(92)75-39-60(94)77-41-62(96)81-53(70(106)79-43-65(100)101)36-49-9-5-2-6-10-49)63(97)15-23-110-27-28-112-25-19-87-44-50(82-84-87)46-114-33-31-108-21-13-57(91)74-38-59(93)76-40-61(95)80-52(69(105)78-42-64(98)99)35-48-7-3-1-4-8-48/h1-10,44-45,52-54,66-68,71,102-104,107H,11-43,46-47H2,(H,72,89)(H,73,90)(H,74,91)(H,75,92)(H,76,93)(H,77,94)(H,78,105)(H,79,106)(H,80,95)(H,81,96)(H,98,99)(H,100,101)/t52-,53-,54-,66+,67+,68-,71-/m0/s1
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| InChIKey |
IZQVOTGFVVECKV-YIOSBZHASA-N
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| Pharmaceutical Properties |
Molecule Weight
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1644.712
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Polar area
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611.32
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Complexity
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3504.186679
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xlogp Value
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-8.1646
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Heavy Count
|
116
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Rot Bonds
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62
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Hbond acc
|
32
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Hbond Donor
|
16
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Each Antibody-drug Conjugate Related to This Linker
