ETIOPURPURIN

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

Structure
InChI Key RISACXCZQWMDFI-JQNIQGEJSA-N
Smile CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)C(C)=C4CC)C(C)C13CC
InChI
InChI=1S/C37H44N4O2/c1-10-23-19(6)29-17-33-25(12-3)21(8)34(40-33)26-15-27(36(42)43-14-5)37(13-4)22(9)30(41-35(26)37)18-32-24(11-2)20(7)28(39-32)16-31(23)38-29/h15-18,22,38,40H,10-14H2,1-9H3/b28-16-,29-17-,30-18-,31-16-,32-18-,33-17-,34-26-

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H44N4O2
Molecular Weight 576.79
AlogP 8.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 83.66
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Cross References

Resources Reference
ChEMBL CHEMBL173930
CONTENTS