JNJ-27548547

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3I8JKL1CHB

Structure
InChI Key LIHIIWJRSSLKKX-YCTALCSSSA-N
Smile CCCCCCCCCCCCCCCCCC(=O)OCC(CSSc1ccc(COC(=O)N2[C@H]3CN4C5=C(C(=O)C(N)=C(C)C5=O)[C@@H](COC(N)=O)[C@@]4(OC)[C@H]32)cc1)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C62H98N4O11S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-52(67)74-43-48(77-53(68)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)45-78-79-49-39-37-47(38-40-49)42-76-61(72)66-51-41-65-56-54(58(70)55(63)46(3)57(56)69)50(44-75-60(64)71)62(65,73-4)59(51)66/h37-40,48,50-51,59H,5-36,41-45,63H2,1-4H3,(H2,64,71)/t48?,50-,51+,59+,62-,66?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C62H98N4O11S2
Molecular Weight 1139.62
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297496
DrugBank DB15372
FDA SRS 3I8JKL1CHB
PubChem 9941638
CONTENTS