Temsavir

C24H23N7O4CAS 701213-36-7473.49 g/mol

Open in Covalent MOL file
NNNNHNOONNOO
AmideEtherKetone

Properties

Molecular formula
C24H23N7O4
Molar mass
473.49 g/mol
Exact mass
473.1812 Da
logP
1.63Crippen estimate
Polar surface area
126.3 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5

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
701213-36-7
SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
InChIKey
QRPZBKAMSFHVRW-UHFFFAOYSA-N
InChI
InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C24H24N7O4 474.1884
[M + Na]+
[M + Na]+ Calcd for C24H23N7NaO4 496.1704
[M − H]−
[M − H]− Calcd for C24H22N7O4 472.1739
Elemental analysis
Anal. Calcd for C24H23N7O4: C, 60.88; H, 4.90; N, 20.71.

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Names and synonyms

1 name
  • Bms 626529

Work with Temsavir

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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