CT-2584

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Synonyms
Status
Molecule Category Free-form
UNII 67E5N3R22H

Structure

InChI Key MZNMZWZGUGFQJP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCNCC(O)CCCCCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChI
InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H55N5O3
Molecular Weight 533.8
AlogP 5.43
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 94.08
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 38.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297274
DrugBank DB13098
FDA SRS 67E5N3R22H
PubChem 3081346
SureChEMBL SCHEMBL107843
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