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GDC-0310

CAT: 0127-PC1007939-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1007939-02Size:5 mg
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CAS Number
1788063-52-4
Purity
98%
Smiles
O=C(NS(=O)(C)=O)C1=CC(C2CC2)=C(OCC3CCN([C@H](C4=CC(Cl)=CC(Cl)=C4)C)CC3)C=C1F

Chemical Information

Gdc-0310
CAS Number1788063-52-4
PubChem CID118110531
IUPAC Name5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
Molecular FormulaC25H29Cl2FN2O4S
Molecular Weight543.5
XLogP5.7
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity822
SMILES
C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F
InChI
InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1
InChIKey
SXOAHIZWCZOILH-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0310
CAS: 1788063-52-4
CID: 118110531
Formula: C25H29Cl2FN2O4S
MW: 543.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass542.1209121
Monoisotopic Mass542.1209121
Topological Polar Surface Area84.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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