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APC-0576

CAT: 0013-GTR19210591-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210591-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
APC-0576
CAS Number
318967-58-7
Field of Research
Signal Transduction
Smiles
C (NC1=CC=C (OC2=CC=C (NC (=O) [C@@H]3C (C) (C) C3) C=N2) C=C1) (=O) [C@@H]4C (C) (C) C4
Molecular Formula
C23H27N3O3
Molecular Weight
393.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apc-0576
CAS Number318967-58-7
PubChem CID9930470
IUPAC Name(1S)-N-[4-[[5-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]-2-pyridinyl]oxy]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
Molecular FormulaC23H27N3O3
Molecular Weight393.5
XLogP3.6
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity639
SMILES
CC1(C[C@@H]1C(=O)NC2=CC=C(C=C2)OC3=NC=C(C=C3)NC(=O)[C@H]4CC4(C)C)C
InChI
InChI=1S/C23H27N3O3/c1-22(2)11-17(22)20(27)25-14-5-8-16(9-6-14)29-19-10-7-15(13-24-19)26-21(28)18-12-23(18,3)4/h5-10,13,17-18H,11-12H2,1-4H3,(H,25,27)(H,26,28)/t17-,18-/m1/s1
InChIKey
GABIPKHJFWRJQJ-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of Apc-0576
CAS: 318967-58-7
CID: 9930470
Formula: C23H27N3O3
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass393.20524173
Monoisotopic Mass393.20524173
Topological Polar Surface Area80.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity639
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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