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KB SRC 4 50mg

CAT: 0628-A20111-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A20111-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1380088-03-8

Chemical Information

KB Src 4
CAS Number1380088-03-8
PubChem CID73349077
IUPAC Name3-(4-chlorophenyl)-1-[3-[3-[(3-phenylphenyl)methyl]triazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC32H23ClN8
Molecular Weight555.0
XLogP6.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity835
SMILES
C1=CC=C(C=C1)C2=CC=CC(=C2)CN3C(=CN=N3)C4=CC(=CC=C4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)Cl)N
InChI
InChI=1S/C32H23ClN8/c33-26-14-12-23(13-15-26)30-29-31(34)35-20-36-32(29)41(38-30)27-11-5-10-25(17-27)28-18-37-39-40(28)19-21-6-4-9-24(16-21)22-7-2-1-3-8-22/h1-18,20H,19H2,(H2,34,35,36)
InChIKey
UHIZYQVRKSWIFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KB Src 4
CAS: 1380088-03-8
CID: 73349077
Formula: C32H23ClN8
MW: 555.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.0
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass554.1734205
Monoisotopic Mass554.1734205
Topological Polar Surface Area100 Ų
Heavy Atom Count41
Formal Charge0
Complexity835
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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