Glpg0187

C29H37N7O5SCAS 1320346-97-1595.72 g/mol

Open in Covalent MOL file
NNNNHNNHOOHHNSOOO
Carboxylic acidEtherSecondary amineSulfonamideTertiary amine

Properties

Molecular formula
C29H37N7O5S
Molar mass
595.72 g/mol
Exact mass
595.2577 Da
logP
3.08Crippen estimate
Polar surface area
158.7 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1320346-97-1
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
InChIKey
CXHCNOMGODVIKB-VWLOTQADSA-N
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

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Names and synonyms

1 names
  • Glpg-0187

Work with Glpg0187

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-234 % similar Tos-arg-oh1159-15-532 % similar N-((4-Methylphenyl)sulfonyl)-L-phenylalanine13505-32-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Osimertinib mesylate1421373-66-1

Elsewhere

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