VALEMETOSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 60RD0234VE

Structure
InChI Key SSDRNUPMYCFXGM-UYPAYLBCSA-N
Smile Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1
InChI
InChI=1S/C26H34ClN3O4/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32)/t17-,18-,26-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34ClN3O4
Molecular Weight 488.03
AlogP 4.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 83.66
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4597193
FDA SRS 60RD0234VE
PubChem 126481870
SureChEMBL SCHEMBL18393626
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