PALBOCICLIB ISETHIONATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Salt
UNII: W1NYL2IRDR
Parent Compound: PALBOCICLIB

Structure
InChI Key LYYVFHRFIJKPOV-UHFFFAOYSA-N
Smile CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.O=S(=O)(O)CCO
InChI
InChI=1S/C24H29N7O2.C2H6O4S/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;3-1-2-7(4,5)6/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);3H,1-2H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H35N7O6S
Molecular Weight 573.68
AlogP 2.97
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 105.04
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2364621
EPA CompTox DTXSID60231974
FDA SRS W1NYL2IRDR
PubChem 11478676
SureChEMBL SCHEMBL19615412
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