Gedatolisib

C32H41N9O4CAS 1197160-78-3615.74 g/mol

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NNONHONHNNONNON
AmideEtherTertiary amineUrea

Properties

Molecular formula
C32H41N9O4
Molar mass
615.74 g/mol
Exact mass
615.3282 Da
logP
3.02Crippen estimate
Polar surface area
128.3 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
7

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
1197160-78-3
SMILES
CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1
InChIKey
DWZAEMINVBZMHQ-UHFFFAOYSA-N
InChI
InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43)

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Names and synonyms

9 names
  • Urea, N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N′-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]-
  • N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N′-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]urea
  • 1-[4-[[4-(Dimethylamino)piperidin-1-yl]carbonyl]phenyl]-3-[4-[4,6-bis(morpholino)-1,3,5-triazin-2-yl]phenyl]urea
  • PKI 587
  • PK 1587
  • PF 05212384
  • PF 384
  • PF 5212384
  • 1-(4-(4-(Dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea

Work with Gedatolisib

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

Wye-3541062169-56-538 % similar (4-Aminophenyl)(morpholino)methanone51207-86-434 % similar [4-(Morpholine-4-carbonyl)phenyl]boronic acid389621-84-532 % similar Mhy1485326914-06-132 % similar 4-Morpholinoacetophenone39910-98-031 % similar ADX 47273851881-60-230 % similar Momelotinib1056634-68-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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