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CHMFL-FLT3-122

CAT: 0127-BUP21493-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21493-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1839150-56-9
Synonyms
CHMFLFLT3122 , CHMFL FLT3 122
MDL Number
MFCD32671348
Purity
=98%
Smiles
NC1=C2C(N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]5CN(C(CN(C)C)=O)CCC5)=NC=N1

Chemical Information

Chmfl-flt3-122
CAS Number1839150-56-9
PubChem CID121513893
IUPAC Name1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
Molecular FormulaC26H29N7O2
Molecular Weight471.6
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity695
SMILES
CN(C)CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
InChIKey
IZNAFSDUTMZGSF-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-flt3-122
CAS: 1839150-56-9
CID: 121513893
Formula: C26H29N7O2
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass471.23827319
Monoisotopic Mass471.23827319
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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