Linker Information
General Information of This Linker
| Linker ID |
LIN0HYCJL
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| Linker Name |
CN110997010A ADC-22 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 |
C94H129N21O25S3
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| Isosmiles |
O=C(NC(CSC(CC1=O)C(N1CC2CCC(C(NCC(N=N3)=CC3CCOCCNC(COCC(N[C@H](CCCCN)C(NC4=CC=C(C=C4)CO)=O)=O)=O)=O)=CC2)=O)C(NC(C(O)=O)CSC(C5=O)CC(N5CC6CCC(C(NCC(N=N7)=CC7CCOCCNC(COCC(N[C@H](CCCCN)C(NC8=CC=C(C=C8)CO)=O)=O)=O)=O)=CC6)=O)=O)CSCCC(N9CN(C(C=C)=O)CN(C(C=C)=O)C9)=O
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| InChI |
InChI=1S/C94H129N21O25S3/c1-3-82(123)111-56-112(83(124)4-2)58-113(57-111)84(125)29-38-141-55-81(122)105-73(53-142-75-41-85(126)114(92(75)133)45-59-11-19-63(20-12-59)87(128)99-43-69-39-67(107-109-69)27-34-137-36-32-97-77(118)49-139-51-79(120)103-71(9-5-7-30-95)89(130)101-65-23-15-61(47-116)16-24-65)91(132)106-74(94(135)136)54-143-76-42-86(127)115(93(76)134)46-60-13-21-64(22-14-60)88(129)100-44-70-40-68(108-110-70)28-35-138-37-33-98-78(119)50-140-52-80(121)104-72(10-6-8-31-96)90(131)102-66-25-17-62(48-117)18-26-66/h3-4,15-19,21,23-26,39-40,59-60,67-68,71-76,116-117H,1-2,5-14,20,22,27-38,41-58,95-96H2,(H,97,118)(H,98,119)(H,99,128)(H,100,129)(H,101,130)(H,102,131)(H,103,120)(H,104,121)(H,105,122)(H,106,132)(H,135,136)/t59?,60?,67?,68?,71-,72-,73?,74?,75?,76?/m1/s1
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| InChIKey |
GEEDHSSIUJEUFC-IEZYQSLTSA-N
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| Pharmaceutical Properties |
Molecule Weight
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2049.389
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Polar area
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642.85
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Complexity
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.
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xlogp Value
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0.3198
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Heavy Count
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143
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Rot Bonds
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63
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Hbond acc
|
33
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Hbond Donor
|
15
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Each Antibody-drug Conjugate Related to This Linker
