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Az7550 hydrochloride

CAT: 0926-JSD76240-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-JSD76240-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2309762-40-9
Smiles
Cl.CNCCN (C) c1cc (OC) c (Nc2nccc (n2) -c2cn (C) c3ccccc23) cc1NC (=O) C=C
Molecular Formula
C27H32ClN7O2
Molecular Weight
522.04 g/mol
Controlled
No

Chemical Information

AZ7550 hydrochloride
CAS Number2309762-40-9
PubChem CID132274051
IUPAC NameN-[4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[methyl-[2-(methylamino)ethyl]amino]phenyl]prop-2-enamide;hydrochloride
Molecular FormulaC27H32ClN7O2
Molecular Weight522.0
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity724
SMILES
CNCCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC.Cl
InChI
InChI=1S/C27H31N7O2.ClH/c1-6-26(35)30-21-15-22(25(36-5)16-24(21)33(3)14-13-28-2)32-27-29-12-11-20(31-27)19-17-34(4)23-10-8-7-9-18(19)23;/h6-12,15-17,28H,1,13-14H2,2-5H3,(H,30,35)(H,29,31,32);1H
InChIKey
BHYPVGSNUFXTCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZ7550 hydrochloride
CAS: 2309762-40-9
CID: 132274051
Formula: C27H32ClN7O2
MW: 522.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass521.2306010
Monoisotopic Mass521.2306010
Topological Polar Surface Area96.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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