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GLPG-0187

CAT: 0926-VCC34697-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VCC34697-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1320346-97-1
MDL Number
MFCD31381920
Smiles
CC1=C (N=C (N=C1N2CCC (CC2) C3=NC4=NCCCC4C=C3) C) NC[C@@H] (C (=O) O) NS (=O) (=O) C5=CC=C (C=C5) OC
Molecular Formula
C29H37N7O5S
Molecular Weight
595.71 g/mol
Controlled
No

Chemical Information

Glpg-0187

GLPG0187 has been used in trials studying the treatment of Solid Tumors.

CAS Number1320346-97-1
PubChem CID53340771
IUPAC Name(2S)-3-[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
Molecular FormulaC29H37N7O5S
Molecular Weight595.7
XLogP4.5
Topological Polar Surface Area167
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity983
SMILES
CC1=C(N=C(N=C1N2CCC(CC2)C3=NC4=C(CCCN4)C=C3)C)NC[C@@H](C(=O)O)NS(=O)(=O)C5=CC=C(C=C5)OC
InChI
InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1
InChIKey
CXHCNOMGODVIKB-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Glpg-0187
CAS: 1320346-97-1
CID: 53340771
Formula: C29H37N7O5S
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass595.25768848
Monoisotopic Mass595.25768848
Topological Polar Surface Area167 Ų
Heavy Atom Count42
Formal Charge0
Complexity983
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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