BMS-184476

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3811W2NBZ8

Structure
InChI Key UBJAHGAUPNGZFF-XOVTVWCYSA-N
Smile CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C
InChI
InChI=1S/C49H55NO14S/c1-27-33(62-45(57)38(53)37(30-17-11-8-12-18-30)50-43(55)31-19-13-9-14-20-31)24-49(58)42(63-44(56)32-21-15-10-16-22-32)40-47(6,41(54)39(61-28(2)51)36(27)46(49,4)5)34(60-26-65-7)23-35-48(40,25-59-35)64-29(3)52/h8-22,33-35,37-40,42,53,58H,23-26H2,1-7H3,(H,50,55)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H55NO14S
Molecular Weight 914.04
AlogP 5.08
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 210.29
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 65.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 160237-25-2
ChEMBL CHEMBL4297267
DrugBank DB12633
EPA CompTox DTXSID30873340
FDA SRS 3811W2NBZ8
PubChem 6918461
SureChEMBL SCHEMBL12168429
CONTENTS