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MK-0674

CAT: 0926-MKB78162-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-MKB78162-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887781-62-6
MDL Number
MFCD16038926
Smiles
CC (C) (CC (C (=O) NC1 (CC1) C#N) NC (C2=CC=C (C=C2) C3=CC=C (C=C3) C (C (F) F) O) C (F) (F) F) F
Molecular Formula
C26H27F6N3O2
Molecular Weight
527.5 g/mol
Controlled
No

Chemical Information

MK-0674

structure in first source

CAS Number887781-62-6
PubChem CID16666183
IUPAC Name(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
Molecular FormulaC26H27F6N3O2
Molecular Weight527.5
XLogP4.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity822
SMILES
CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C(F)F)O)C(F)(F)F)F
InChI
InChI=1S/C26H27F6N3O2/c1-24(2,29)13-19(23(37)35-25(14-33)11-12-25)34-21(26(30,31)32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(36)22(27)28/h3-10,19-22,34,36H,11-13H2,1-2H3,(H,35,37)/t19-,20+,21-/m0/s1
InChIKey
YTEORGORWDMMRK-HBMCJLEFSA-N
Chemical Structure
2D Structure
2D structure of MK-0674
CAS: 887781-62-6
CID: 16666183
Formula: C26H27F6N3O2
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass527.20074608
Monoisotopic Mass527.20074608
Topological Polar Surface Area85.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T16089-01MK-0674
A21558-10MK-0674 10mg
A21558-50MK-0674 50mg
A21558-1MK-0674 1mg
A21558-25MK-0674 25mg
A21558-5MK-0674 5mg
A21558-2MK-0674 2mg
324068-01MK
167912Midkine (MK, MK1, MK-1, MK 1) discontinued
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