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CHEBI:757907 - bms-813160

Default Structure
ChEBI IDCHEBI:757907
ChEBI Namebms-813160
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC25H40N8O2
Net Charge0
Average Mass484.649
Monoisotopic Mass484.32742
SMILESCC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O
InChIInChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1
InChIKeyCMVHFGNTABZQJU-HCXYKTFWSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
bms-813160 (CHEBI:757907) has role antineoplastic agent (CHEBI:35610)
bms-813160 (CHEBI:757907) has role hypoglycemic agent (CHEBI:35526)
bms-813160 (CHEBI:757907) is a α-amino acid (CHEBI:33704)
Synonyms  Source
Bms 813160ChEMBL
BMS-813160ChEMBL
Citations