TP-271

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Synonyms
Status
Molecule Category Free-form
UNII Y6IUM7395Q

Structure

InChI Key IXMIZHVJXGKPJI-HMFHYXQTSA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)[C@@H]5CCCN5C)cc(F)c4C[C@H]3C[C@@H]12
InChI
InChI=1S/C27H31FN4O8/c1-31(2)19-12-8-10-7-11-13(28)9-14(30-26(39)15-5-4-6-32(15)3)20(33)17(11)21(34)16(10)23(36)27(12,40)24(37)18(22(19)35)25(29)38/h9-10,12,15,19,33,35-36,40H,4-8H2,1-3H3,(H2,29,38)(H,30,39)/t10-,12-,15-,19-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H31FN4O8
Molecular Weight 558.56
AlogP 0.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 193.73
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 40.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2057236
DrugBank DB15040
FDA SRS Y6IUM7395Q
Guide to Pharmacology 11013
SureChEMBL SCHEMBL13397803
ZINC ZINC000068246927
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