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METTL3-IN-1

CAT: 0931-T73002-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73002-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2648257-77-4
Target
Others
Related Pathways
Others
Bioactivity
METTL3-IN-1 is a polyheterocyclic compound, acts as METTL3 inhibitor .
Smiles
C(NCC=1NC=2C(C1)=CC=C(CNC(=O)C=3N=C4N(C(=O)C3)C=CC=C4)C2)C56CC(F)(C5)C6
Molecular Formula
C25H24FN5O2
Molecular Weight
445.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mettl3-IN-1
CAS Number2648257-77-4
PubChem CID156748880
IUPAC NameN-[[2-[[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methylamino]methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
Molecular FormulaC25H24FN5O2
Molecular Weight445.5
XLogP1.6
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity966
SMILES
C1C2(CC1(C2)F)CNCC3=CC4=C(N3)C=C(C=C4)CNC(=O)C5=CC(=O)N6C=CC=CC6=N5
InChI
InChI=1S/C25H24FN5O2/c26-25-12-24(13-25,14-25)15-27-11-18-8-17-5-4-16(7-19(17)29-18)10-28-23(33)20-9-22(32)31-6-2-1-3-21(31)30-20/h1-9,27,29H,10-15H2,(H,28,33)
InChIKey
BIZDSLHMJYUZMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mettl3-IN-1
CAS: 2648257-77-4
CID: 156748880
Formula: C25H24FN5O2
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass445.19140319
Monoisotopic Mass445.19140319
Topological Polar Surface Area89.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity966
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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