E7107

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R60DZX1E2N

Structure
InChI Key MNOMBFWMICHMKG-MGYWSNOQSA-N
Smile CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C3CCCCCC3)CC2)/C=C/[C@@H]1C
InChI
InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H66N2O9
Molecular Weight 718.97
AlogP 5.05
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 152.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 51.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 630100-90-2
ChEMBL CHEMBL4297278
DrugBank DB12508
FDA SRS R60DZX1E2N
PDB 9B0
PubChem 16202132
SureChEMBL SCHEMBL3624011
ZINC ZINC000096179269
CONTENTS