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BMS-986141

CAT: 0127-BUP01685-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01685-02Size:5 mg
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CAS Number
1478711-48-6
Synonyms
UDM-003183
Purity
=98%
Smiles
O(CC=1N=C(SC1)C2=CC=C(C(N(C)C)=O)C=C2)C3=C4C(OC(=C4)C5=CN6C(=N5)SC(OC)=N6)=CC(OC)=C3

Chemical Information

Bms-986141

BMS-986141 is under investigation in clinical trial NCT02985632 (A Study to Evaluate the Pharmacokinetics of BMS-986141 in Participants With Hepatic Impairment Compared to Healthy Participants).

CAS Number1478711-48-6
PubChem CID72188743
IUPAC Name4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
Molecular FormulaC27H23N5O5S2
Molecular Weight561.6
XLogP4.9
Topological Polar Surface Area161
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity851
SMILES
CN(C)C(=O)C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
InChI
InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3
InChIKey
KEEBLYWBELVGPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-986141
CAS: 1478711-48-6
CID: 72188743
Formula: C27H23N5O5S2
MW: 561.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.6
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass561.11406120
Monoisotopic Mass561.11406120
Topological Polar Surface Area161 Ų
Heavy Atom Count39
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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