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Drug Details

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Name:CID 10438510
PubChem ID:10651164
Pathway:-
InChI:InChI=1S/C30H31N9O5/c1-4-13-39(25-11-7-19-14-24-22(15-21(19)25)29(42)33-17(3)32-24)20-8-5-18(6-9-20)28(41)34-23(30(43)44)10-12-26(40)31-16(2)27-35-37-38-36-27/h1,5-6,8-9,14-16,23,25H,7,10-13H2,2-3H3,(H,31,40)(H,34,41)(H,43,44)(H,32,33,42)(H,35,36,37,38)/t16-,23+,25?/m1/s1
SMILES:C#CCN(C1CCc2c1cc1c(=O)nc([nH]c1c2)C)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](c1n[nH]nn1)C

Properties:
Formula:C30H31N9O5Atoms:44
Molecular Weight:597.624Rotatable Bonds:13
H-bond Acceptors:12H-bond Donors:5
logP:2.4941
Targets:
NameUniprot IDSourceReferencesInteraction
Thymidylate synthaseTYSY_LACCABindingDB-shows
Synonyms:
CHEBI:188346
CHEMBL59261
CID 10438510
CID10651164