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GDC-0152

CAT: 0127-BUP09576-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09576-02Size:5 mg
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CAS Number
873652-48-3
Synonyms
GDC0152
Purity
=95%
Smiles
C([C@@H](NC([C@@H](NC)C)=O)[C@@H]1CCCCC1)(=O)N2[C@H](C(NC3=C(N=NS3)C4=CC=CC=C4)=O)CCC2

Chemical Information

Gdc-0152

GDC-0152 has been used in trials studying the treatment of Solid Cancers.

CAS Number873652-48-3
PubChem CID46940575
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
Molecular FormulaC25H34N6O3S
Molecular Weight498.6
XLogP3.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity743
SMILES
C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC
InChI
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
InChIKey
WZRFLSDVFPIXOV-LRQRDZAKSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0152
CAS: 873652-48-3
CID: 46940575
Formula: C25H34N6O3S
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass498.24131014
Monoisotopic Mass498.24131014
Topological Polar Surface Area145 Ų
Heavy Atom Count35
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A4224-50GDC-0152
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