Lexibulin

C₂₄H₃₀N₆O₂CAS 917111-44-5434.54 g/mol

Open in Covalent MOL file

Ether Secondary amine Urea

Properties

Molecular formula: C₂₄H₃₀N₆O₂
Molar mass: 434.54 g/mol
Exact mass: 434.2430 Da
logP: 4.95Crippen estimate
Polar surface area: 101.1 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

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

917111-44-5

SMILES

CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC

InChIKey

MTJHLONVHHPNSI-IBGZPJMESA-N

InChI

InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1

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

Names and synonyms

1 names

Cyt997

Work with Lexibulin

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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