chempirical

Pd-L1 inhibitor 1

C25H29N3O3CAS 1675203-84-5419.53 g/mol

Open in Covalent MOL file
ONNHNHOO
AmideEtherSecondary amine

Properties

Molecular formula
C25H29N3O3
Molar mass
419.53 g/mol
Exact mass
419.2209 Da
logP
3.87Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Hazards

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

Identifiers

CAS number
1675203-84-5
SMILES
CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCNC(=O)C)OC
InChIKey
JEDPSOYOYVELLZ-UHFFFAOYSA-N
InChI
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)

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Names and synonyms

1 names
  • Bms-202

Work with Pd-L1 inhibitor 1

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

2-Piperidinecarboxylic acid, 1-[[2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl]methyl]-, (2S)-1675201-83-836 % similar 2-Methyl[1,1′-biphenyl]-3-methanol76350-90-833 % similar Bifenthrin82657-04-331 % similar trans-Bifenthtin83322-02-531 % similar Melatonin8041-44-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-((5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino)butoxy)acetic acid475085-57-5

Elsewhere

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