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Myt1-IN-3

CAT: 0931-T61056-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61056-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2719793-54-9
Target
Others, Wee1
Related Pathways
Cell Cycle/Checkpoint, Others
Bioactivity
Myt1-IN-3 is a potent inhibitor of Myt1 with an IC50 of less than 10 nM [1].
Smiles
NC=1N(C=2C(C1C(N)=O)=NC(=CN2)C3CC3)C4=C(C)C(O)=CC=C4C
Molecular Formula
C18H19N5O2
Molecular Weight
337.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Myt1-IN-3
CAS Number2719793-54-9
PubChem CID156869367
IUPAC Name6-amino-2-cyclopropyl-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
Molecular FormulaC18H19N5O2
Molecular Weight337.4
XLogP2
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity528
SMILES
CC1=C(C(=C(C=C1)O)C)N2C(=C(C3=NC(=CN=C32)C4CC4)C(=O)N)N
InChI
InChI=1S/C18H19N5O2/c1-8-3-6-12(24)9(2)15(8)23-16(19)13(17(20)25)14-18(23)21-7-11(22-14)10-4-5-10/h3,6-7,10,24H,4-5,19H2,1-2H3,(H2,20,25)
InChIKey
OGYFWWOEHHCUJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Myt1-IN-3
CAS: 2719793-54-9
CID: 156869367
Formula: C18H19N5O2
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass337.15387487
Monoisotopic Mass337.15387487
Topological Polar Surface Area120 Ų
Heavy Atom Count25
Formal Charge0
Complexity528
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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