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CHEBI:756855 - cbp-501

Default Structure
ChEBI IDCHEBI:756855
ChEBI Namecbp-501
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC86H122F5N29O17
Net Charge0
Average Mass1929.098
Monoisotopic Mass1927.94936
SMILESN=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1cnc2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C86H122F5N29O17/c87-64-49(65(88)67(90)68(91)66(64)89)39-60(118-80(135)62(42-122)120-77(132)59(38-47-40-109-51-19-8-7-18-48(47)51)117-79(134)61(41-121)119-70(125)50(92)36-44-25-27-46(28-26-44)69(124)45-16-5-2-6-17-45)78(133)116-58(37-43-14-3-1-4-15-43)76(131)113-54(22-11-33-106-84(98)99)72(127)110-52(20-9-31-104-82(94)95)71(126)111-53(21-10-32-105-83(96)97)73(128)114-56(29-30-63(93)123)75(130)112-55(23-12-34-107-85(100)101)74(129)115-57(81(136)137)24-13-35-108-86(102)103/h2,5-8,16-19,25-28,40,43,50,52-62,109,121-122H,1,3-4,9-15,20-24,29-39,41-42,92H2,(H2,93,123)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,128)(H,115,129)(H,116,133)(H,117,134)(H,118,135)(H,119,125)(H,120,132)(H,136,137)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKeyDEZJGRPRBZSAKI-KMGSDFBDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cbp-501 (CHEBI:756855) has role antineoplastic agent (CHEBI:35610)
cbp-501 (CHEBI:756855) is a polypeptide (CHEBI:15841)
Synonyms  Source
Cbp 501ChEMBL
Cbp-501ChEMBL
CBP501ChEMBL