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QW30

CAT: 0013-GTR19186109-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186109-02Size:50 mg
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Description
QW30 is a potent small molecule exhibiting significant antitumor activity with an IC50 of 0.33 μM. It is a valuable research tool for investigating oncology pathways in both in vitro cellular assays and in vivo preclinical models.
CAS Number
1714112-25-0
Smiles
C[C@@]12C=3C (=CC (C (NC4=CC=C (N (C) C) C=C4) =O) =C (OC) C3) CC[C@]1 (C (C) (C) [C@@H] (O) CC2) [H]
Molecular Formula
C27H36N2O3
Molecular Weight
436.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 134154462
CAS Number1714112-25-0
PubChem CID134154462
IUPAC Name(4bS,7S,8aR)-N-[4-(dimethylamino)phenyl]-7-hydroxy-3-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2-carboxamide
Molecular FormulaC27H36N2O3
Molecular Weight436.6
XLogP5.3
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity672
SMILES
C[C@]12CC[C@@H](C([C@@H]1CCC3=CC(=C(C=C23)OC)C(=O)NC4=CC=C(C=C4)N(C)C)(C)C)O
InChI
InChI=1S/C27H36N2O3/c1-26(2)23-12-7-17-15-20(25(31)28-18-8-10-19(11-9-18)29(4)5)22(32-6)16-21(17)27(23,3)14-13-24(26)30/h8-11,15-16,23-24,30H,7,12-14H2,1-6H3,(H,28,31)/t23-,24-,27+/m0/s1
InChIKey
NKRGGIKLIDBQMW-NLJOTIRTSA-N
Chemical Structure
2D Structure
2D structure of CID 134154462
CAS: 1714112-25-0
CID: 134154462
Formula: C27H36N2O3
MW: 436.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass436.27259301
Monoisotopic Mass436.27259301
Topological Polar Surface Area61.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity672
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

Alternative Products

CatalogName
MBS5805177QW30

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