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KU-0063794 50mg

CAT: 0628-A10505-50Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
938440-64-3

Chemical Information

Ku-0063794

Ku-0063794 is a member of the class of pyridopyrimidines that is an mTOR inhibitor and shows anti-tumour properties. It has a role as an antineoplastic agent and a mTOR inhibitor. It is a member of benzyl alcohols, a monomethoxybenzene, a member of morpholines, a pyridopyrimidine and a tertiary amino compound.

CAS Number938440-64-3
PubChem CID16736978
IUPAC Name[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
Molecular FormulaC25H31N5O4
Molecular Weight465.5
XLogP2.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity643
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=N2)N5CCOCC5
InChI
InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+
InChIKey
RFSMUFRPPYDYRD-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of Ku-0063794
CAS: 938440-64-3
CID: 16736978
Formula: C25H31N5O4
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass465.23760449
Monoisotopic Mass465.23760449
Topological Polar Surface Area93.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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