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Ras modulator-1

CAT: 0931-T72774-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72774-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
623935-08-0
Target
Ras, Others
Related Pathways
GPCR/G Protein, MAPK, Others
Bioactivity
Ras modulator-1 is a chemical compound that modulates the activity of Ras.
Smiles
C(C=1C(=NN(C1)C2=CC=CC=C2)C=3C=C4C(=CC3)OCCO4)=C5C(=O)N6C(S5)=NC(=N6)C7=CC=C(OC)C=C7
Molecular Formula
C29H21N5O4S
Molecular Weight
535.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5Z)-5-((3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)M ethylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-ON E
CAS Number623935-08-0
PubChem CID5916758
IUPAC Name(5Z)-5-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Molecular FormulaC29H21N5O4S
Molecular Weight535.6
XLogP5.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity910
SMILES
COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC6=C(C=C5)OCCO6)C7=CC=CC=C7)/SC3=N2
InChI
InChI=1S/C29H21N5O4S/c1-36-22-10-7-18(8-11-22)27-30-29-34(32-27)28(35)25(39-29)16-20-17-33(21-5-3-2-4-6-21)31-26(20)19-9-12-23-24(15-19)38-14-13-37-23/h2-12,15-17H,13-14H2,1H3/b25-16-
InChIKey
OXQCWJGNSPOWLN-XYGWBWBKSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-5-((3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)M ethylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-ON E
CAS: 623935-08-0
CID: 5916758
Formula: C29H21N5O4S
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass535.13142534
Monoisotopic Mass535.13142534
Topological Polar Surface Area119 Ų
Heavy Atom Count39
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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