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Methuosis inducer 1

CAT: 0931-T7262-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7262-02Size:5 mg
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CAS Number
2240205-30-3
Target
Others
Related Pathways
Others
Purity
0.9934
Bioactivity
Methuosis inducer 1 is a potent methuosis inducer with anticancer activity.
Smiles
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1cc(nc2[nH]ccc12)-c1cccnc1
Molecular Formula
C27H20F3N5O
Molecular Weight
487.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methuosis inducer 1
CAS Number2240205-30-3
PubChem CID138319688
IUPAC NameN-[4-methyl-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC27H20F3N5O
Molecular Weight487.5
XLogP5.5
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity751
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=CC(=NC4=C3C=CN4)C5=CN=CC=C5
InChI
InChI=1S/C27H20F3N5O/c1-16-7-8-20(33-26(36)17-4-2-6-19(12-17)27(28,29)30)13-22(16)34-24-14-23(18-5-3-10-31-15-18)35-25-21(24)9-11-32-25/h2-15H,1H3,(H,33,36)(H2,32,34,35)
InChIKey
MNEWQRRQMLENPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methuosis inducer 1
CAS: 2240205-30-3
CID: 138319688
Formula: C27H20F3N5O
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass487.16199476
Monoisotopic Mass487.16199476
Topological Polar Surface Area82.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity751
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