Ganetespib

C₂₀H₂₀N₄O₃CAS 888216-25-9364.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₀N₄O₃
Molar mass: 364.41 g/mol
Exact mass: 364.1535 Da
logP: 3.25Crippen estimate
Polar surface area: 96.1 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

888216-25-9

SMILES

CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O

InChIKey

RVAQIUULWULRNW-UHFFFAOYSA-N

InChI

InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)

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Work with Ganetespib

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

1-Methyl-1H-indole-5-carboxylic acid186129-25-931 % similar 1-Methyl-5-nitro-1H-indole29906-67-031 % similar 5-Bromo-1-methyl-1H-indole10075-52-230 % similar 1-Methyl-1H-indol-5-amine102308-97-430 % similar

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

Elsewhere

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