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TAM-IN-2 5mg

CAT: 0628-A19162-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19162-5Size:5 mg
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CAS Number
2135642-56-5

Chemical Information

Tam-IN-2
CAS Number2135642-56-5
PubChem CID130447757
IUPAC NameN-[4-[7-(1-acetylpiperidin-4-yl)-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
Molecular FormulaC31H27F2N7O3
Molecular Weight583.6
XLogP3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity1120
SMILES
CC(=O)N1CCC(CC1)C2=CC(=C3N2N=CN=C3N)C4=C(C=C(C=C4)NC(=O)C5=CC=CN(C5=O)C6=CC=C(C=C6)F)F
InChI
InChI=1S/C31H27F2N7O3/c1-18(41)38-13-10-19(11-14-38)27-16-25(28-29(34)35-17-36-40(27)28)23-9-6-21(15-26(23)33)37-30(42)24-3-2-12-39(31(24)43)22-7-4-20(32)5-8-22/h2-9,12,15-17,19H,10-11,13-14H2,1H3,(H,37,42)(H2,34,35,36)
InChIKey
PLCVJNJRUVNDEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tam-IN-2
CAS: 2135642-56-5
CID: 130447757
Formula: C31H27F2N7O3
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass583.21434407
Monoisotopic Mass583.21434407
Topological Polar Surface Area126 Ų
Heavy Atom Count43
Formal Charge0
Complexity1120
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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