BELOTECAN HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: 01DZ4127G7
Parent Compound: BELOTECAN

Structure
InChI Key SJKBXKKZBKCHET-UQIIZPHYSA-N
Smile CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C.Cl
InChI
InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H28ClN3O4
Molecular Weight 469.97
AlogP 2.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 93.45
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lung Neoplasms 2 D008175 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2107315
EPA CompTox DTXSID60175647
FDA SRS 01DZ4127G7
PubChem 6918340
SureChEMBL SCHEMBL1651143
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