PATIDEGIB HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ZL14FCA5PK

Structure
InChI Key LICVMCOINZNZNW-BATHLIJTSA-N
Smile CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C.Cl
InChI
InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H49ClN2O3S
Molecular Weight 541.24
AlogP 5.03
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 67.43
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 35.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105764
FDA SRS ZL14FCA5PK
PubChem 42642200
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