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MIK665

CAT: 0127-BUP09077-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09077-02Size:5 mg
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CAS Number
1799631-75-6
Synonyms
S-64315
Purity
=98%
Smiles
COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1

Chemical Information

Mik-665

S64315 (MIK665) is an inhibitor of induced myeloid leukemia cell differentiation protein Myeloid cell leukemia 1 (Mcl-1).

CAS Number1799631-75-6
PubChem CID118163156
IUPAC Name(2R)-2-[5-[3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
Molecular FormulaC47H44ClFN6O6S
Molecular Weight875.4
XLogP5.9
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Heavy Atom Count62
Formal Charge0
Complexity1390
SMILES
CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)O[C@H](CC5=CC=CC=C5OCC6=NC(=NC=C6)C7=CC=CC=C7CO)C(=O)O)C8=CC=C(C=C8)F
InChI
InChI=1S/C47H44ClFN6O6S/c1-29-35(15-16-38(42(29)48)59-24-23-55-21-19-54(2)20-22-55)40-41-45(51-28-52-46(41)62-43(40)30-11-13-33(49)14-12-30)61-39(47(57)58)25-31-7-4-6-10-37(31)60-27-34-17-18-50-44(53-34)36-9-5-3-8-32(36)26-56/h3-18,28,39,56H,19-27H2,1-2H3,(H,57,58)/t39-/m1/s1
InChIKey
NHDQXHYUSYRVEI-LDLOPFEMSA-N
Chemical Structure
2D Structure
2D structure of Mik-665
CAS: 1799631-75-6
CID: 118163156
Formula: C47H44ClFN6O6S
MW: 875.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight875.4
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Exact Mass874.2715602
Monoisotopic Mass874.2715602
Topological Polar Surface Area172 Ų
Heavy Atom Count62
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BM170717-01MIK665
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A18362-500MIK665 500mg
A18362-100MIK665 100mg
A18362-25MIK665 25mg
A18362-5MIK665 5mg
A18362-1MIK665 1mg

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