CERAMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZZK8X1CR0R

Structure
InChI Key CRJGESKKUOMBCT-VQTJNVASSA-N
Smile CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O
InChI
InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H41NO3
Molecular Weight 343.55
AlogP 4.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 17.0
Polar Surface Area 69.56
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma 1 D002277 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Cross References

Resources Reference
ChEBI 64913
ChEMBL CHEMBL155886
EPA CompTox DTXSID20156452
FDA SRS ZZK8X1CR0R
SureChEMBL SCHEMBL1479036
ZINC ZINC000008860494
CONTENTS