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PIM447

CAT: 0127-BUP17522-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17522-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1210608-43-7
Synonyms
LGH447 , LGH 447 , PIM 447
Purity
=98%
Smiles
FC1=C(N=C(C(NC=2C(=CC=NC2)[C@@H]3C[C@H](C)C[C@H](N)C3)=O)C=C1)C4=C(F)C=CC=C4F

Chemical Information

Lgh-447

LGH-447 is under investigation in clinical trial NCT02160951 (Dose Escalation Study of LGH447 in Japanese Patients With Relapsed and/or Refractory Hematologic Malignancies).

CAS Number1210608-43-7
PubChem CID44814409
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Molecular FormulaC24H23F3N4O
Molecular Weight440.5
XLogP3.9
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity630
SMILES
C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
InChIKey
VRQXRVAKPDCRCI-ZNMIVQPWSA-N
Chemical Structure
2D Structure
2D structure of Lgh-447
CAS: 1210608-43-7
CID: 44814409
Formula: C24H23F3N4O
MW: 440.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass440.18239586
Monoisotopic Mass440.18239586
Topological Polar Surface Area80.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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