GCC-4401C

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I636054KKA

Structure
InChI Key ZFDKSINSDZTWFU-AWEZNQCLSA-N
Smile O=C(NC[C@H]1CN(c2ccc(N3CCNC=N3)cc2)C(=O)O1)c1ccc(Cl)s1
InChI
InChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)21-9-14-10-23(18(26)27-14)12-1-3-13(4-2-12)24-8-7-20-11-22-24/h1-6,11,14H,7-10H2,(H,20,22)(H,21,25)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClN5O3S
Molecular Weight 419.89
AlogP 2.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 86.27
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL4300154
FDA SRS I636054KKA
PubChem 49839478
SureChEMBL SCHEMBL1060839
ChEMBL CHEMBL4297465
FDA SRS L97P2G5S38
PubChem 49839478
SureChEMBL SCHEMBL1079902
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