General Information of This Payload
Payload ID
PAY0JJZCN
Name
CN117750982A ADC58 Payload
Synonyms
CN117750982A ADC58 Payload
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Structure
Formula
C49H84N8O12
Isosmiles
CO[C@@H]([C@]1([H])CCCN1C(C[C@@H](OC)[C@@H](N(C([C@@H](NC([C@@H](N(C(COCCOCCOCCOCCN=[N+]=[N-])=O)C)C(C)C)=O)C(C)C)=O)C)[C@H](CC)C)=O)[C@H](C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)C
InChI
InChI=1S/C49H84N8O12/c1-13-34(6)44(39(64-11)30-40(58)57-22-17-20-38(57)46(65-12)35(7)47(61)52-36(8)45(60)37-18-15-14-16-19-37)56(10)49(63)42(32(2)3)53-48(62)43(33(4)5)55(9)41(59)31-69-29-28-68-27-26-67-25-24-66-23-21-51-54-50/h14-16,18-19,32-36,38-39,42-46,60H,13,17,20-31H2,1-12H3,(H,52,61)(H,53,62)/t34-,35+,36+,38-,39+,42-,43-,44-,45+,46+/m0/s1
InChIKey
DIAWFEPFWDNVPG-XEGWZJQZSA-N
Pharmaceutical Properties
Molecule Weight
977.255
Polar area
243.5
Complexity
1708.29589
xlogp Value
4.1455
Heavy Count
69
Rot Bonds
34
Hbond acc
13
Hbond Donor
3
Each Antibody-drug Conjugate Related to This Payload