Linker Information
General Information of This Linker
| Linker ID |
LIN0NAMMT
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|---|---|---|---|---|---|---|
| Linker Name |
Daratumumab-I-25-0.1 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 |
C94H136FN19O28S2
|
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| Isosmiles |
CC(C)[C@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N1)CC(C)C)=O)=O)CCC(NC2=C(F)C=CC(OC(CCOCCOCCOCCOCCOCCOCCOCCOCCN)=O)=C2)=O)=O)CC(C)C)=O)C(N[C@H](C(N[C@@H](CSSC[C@H](NC([C@@H](N)CC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC3=CN=CN3)C1=O)=O)CC4=CNC5=C4C=CC=C5)=O)C)=O)C(N[C@H](C(O)=O)[C@H](O)C)=O)=O)CC6=CNC7=C6C=CC=C7)=O
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| InChI |
InChI=1S/C94H136FN19O28S2/c1-53(2)39-70-85(123)101-49-78(117)104-68(19-20-77(116)105-69-44-61(17-18-64(69)95)142-80(120)21-23-134-25-27-136-29-31-138-33-35-140-37-38-141-36-34-139-32-30-137-28-26-135-24-22-96)86(124)108-71(40-54(3)4)90(128)113-81(55(5)6)93(131)110-73(42-59-47-100-67-16-12-10-14-63(59)67)88(126)112-76(92(130)114-82(57(8)115)94(132)133)51-144-143-50-75(111-84(122)65(97)45-79(118)119)91(129)103-56(7)83(121)106-72(41-58-46-99-66-15-11-9-13-62(58)66)87(125)109-74(89(127)107-70)43-60-48-98-52-102-60/h9-18,44,46-48,52-57,65,68,70-76,81-82,99-100,115H,19-43,45,49-51,96-97H2,1-8H3,(H,98,102)(H,101,123)(H,103,129)(H,104,117)(H,105,116)(H,106,121)(H,107,127)(H,108,124)(H,109,125)(H,110,131)(H,111,122)(H,112,126)(H,113,128)(H,114,130)(H,118,119)(H,132,133)/t56-,57+,65-,68-,70-,71-,72-,73-,74-,75-,76-,81-,82-/m0/s1
|
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| InChIKey |
KEYIXLVLSFFUQN-QQCXVYGNSA-N
|
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| Pharmaceutical Properties |
Molecule Weight
|
2063.359
|
Polar area
|
685.57
|
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|
Complexity
|
.
|
xlogp Value
|
-0.7753
|
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|
Heavy Count
|
144
|
Rot Bonds
|
50
|
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|
Hbond acc
|
31
|
Hbond Donor
|
21
|
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Each Antibody-drug Conjugate Related to This Linker
