Fgf-401

C₂₅H₃₀N₈O₄CAS 1708971-55-4506.57 g/mol

Open in Covalent MOL file

Aldehyde Amide Ether Lactam Nitrile Secondary amine Tertiary amine Urea

Properties

Molecular formula: C₂₅H₃₀N₈O₄
Molar mass: 506.57 g/mol
Exact mass: 506.2390 Da
logP: 1.48Crippen estimate
Polar surface area: 143.8 Å²
H-bond donors / acceptors: 2 / 9
Rotatable bonds: 8

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

1708971-55-4

SMILES

CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O

InChIKey

BHKDKKZMPODMIQ-UHFFFAOYSA-N

InChI

InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Roblitinib

Work with Fgf-401

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

Elsewhere

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