General Information of This Payload
Payload ID
PAY0QJUUE
Name
CN119630431A-ADC-58-PAYLOAD
Synonyms
CN119630431A-ADC-58-PAYLOAD
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Structure
Formula
C82H114N12O21
Isosmiles
CC1(NCC#CC2=CC=C(OC)C(N(CCC3=O)C(N3CNC([C@@H](NC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)=O)CC(N)=O)=O)=O)=C2)CCN(CC1)C4CCN(CC4)C5=NC([C@@](CO)(OC6CC6)C7=CC=CC=C7)=C8C=C(C9=CN(C)C(C%10=C9C=CN%10)=O)C=CC8=N5
InChI
InChI=1S/C82H114N12O21/c1-81(22-29-91(30-23-81)63-19-26-92(27-20-63)79-88-68-16-13-61(67-56-90(2)78(100)75-65(67)18-25-84-75)54-66(68)76(89-79)82(58-95,115-64-14-15-64)62-10-6-5-7-11-62)86-24-8-9-60-12-17-71(103-4)70(53-60)93-28-21-74(98)94(80(93)101)59-85-77(99)69(55-72(83)96)87-73(97)57-114-52-51-113-50-49-112-48-47-111-46-45-110-44-43-109-42-41-108-40-39-107-38-37-106-36-35-105-34-33-104-32-31-102-3/h5-7,10-13,16-18,25,53-54,56,63-64,69,84,86,95H,14-15,19-24,26-52,55,57-59H2,1-4H3,(H2,83,96)(H,85,99)(H,87,97)/t69-,82-/m0/s1
InChIKey
BSKTYQRHNVUHHI-AIQFRPNZSA-N
Pharmaceutical Properties
Molecule Weight
1603.877
Polar area
373.44
Complexity
4030.914513
xlogp Value
3.7865
Heavy Count
115
Rot Bonds
53
Hbond acc
27
Hbond Donor
6
Each Antibody-drug Conjugate Related to This Payload