CEFOPERAZONE

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Synonyms
Status
Molecule Category Free-form
ATC J01DD12
UNII 7U75I1278D
EPA CompTox DTXSID2022759

Structure

InChI Key GCFBRXLSHGKWDP-XCGNWRKASA-N
Smiles CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
InChI
InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N9O8S2
Molecular Weight 645.68
AlogP -1.11
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 220.26
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 44.0

Related Entries

Cross References

Resources Reference
ChEBI 3493
ChEMBL CHEMBL507674
DrugBank DB01329
DrugCentral 543
FDA SRS 7U75I1278D
KEGG C06883
PubChem 44187
SureChEMBL SCHEMBL37056
ZINC ZINC000003830432
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