MITEMCINAL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6X5NRJ664L

Structure
InChI Key BELMMAAWNYFCGF-PZXAHSFZSA-N
Smile CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC
InChI
InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H69NO12
Molecular Weight 755.99
AlogP 4.53
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 151.68
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 53.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2110756
DrugBank DB06587
FDA SRS 6X5NRJ664L
PubChem 6918267
SureChEMBL SCHEMBL13524619
ZINC ZINC000085537008
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