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C24H31N3O3CAS 912999-49-6409.53 g/mol

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ONNNOHHO
AmidePhenolTertiary amine

Properties

Molecular formula
C24H31N3O3
Molar mass
409.53 g/mol
Exact mass
409.2365 Da
logP
3.12Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

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
912999-49-6
SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
InChIKey
IFRGXKKQHBVPCQ-UHFFFAOYSA-N
InChI
InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3

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Names and synonyms

8 names
  • Methanone, [1,3-dihydro-5-[(4-methyl-1-piperazinyl)methyl]-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]-
  • 1H-Isoindole, 2-[2,4-dihydroxy-5-(1-methylethyl)benzoyl]-2,3-dihydro-5-[(4-methyl-1-piperazinyl)methyl]-
  • [1,3-Dihydro-5-[(4-methyl-1-piperazinyl)methyl]-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]methanone
  • (2,4-Dihydroxy-5-isopropylphenyl)[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone
  • AT 13387
  • AT 13387X
  • ATI 3387
  • (2,4-Dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone

Work with Onalespib

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Similar compounds

4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-738 % similar Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate314268-40-137 % similar 4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride106261-49-836 % similar Luminespib747412-49-336 % similar 1-(4-(Chlorocarbonyl)benzyl)-4-methylpiperazinediium dichloride106261-64-734 % similar 1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-732 % similar N,N-Diethyl-2-hydroxybenzamide19311-91-231 % similar

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

Elsewhere

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