COLENEURAMIDE

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Synonyms
Status
Molecule Category Free-form
UNII G2D52T65LR

Structure

InChI Key CHMRTBYTCBDIRG-JQZMMWJVSA-N
Smiles CO[C@]1(C(=O)N[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]43)C2)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
InChI
InChI=1S/C39H68N2O8/c1-22(2)9-8-10-23(3)28-13-14-29-27-12-11-25-19-26(15-17-37(25,5)30(27)16-18-38(28,29)6)41-36(47)39(48-7)20-31(44)33(40-24(4)43)35(49-39)34(46)32(45)21-42/h22-23,25-35,42,44-46H,8-21H2,1-7H3,(H,40,43)(H,41,47)/t23-,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,37+,38-,39-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H68N2O8
Molecular Weight 692.98
AlogP 4.3
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 157.58
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 49.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2105634
DrugBank DB14932
FDA SRS G2D52T65LR
PubChem 46174145
SureChEMBL SCHEMBL4061659
ZINC ZINC000085540178
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