CUR61414
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CUR61414
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CAS No:
334998-36-6
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Formula:
C31H42N4O5
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Chemical Name:
CUR61414
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Synonyms:
CUR 61414;N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide;N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-benzamide;Butanamide, N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-
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CAS No:
Characteristics
83.58000
3.46820
1.24±0.1 g/cm3
35-40°C
714.1±60.0 °C(Predicted)
379.269ºC
1.616
8.42±0.10
CUR61414 Use and Manufacturing
CUR 61414 is a proline derivative as mediator of hedgehog signaling pathways for pharmaceutical and cosmetic uses. CUR 61414 is a Nucleoside analog. CUR 61414 is an antimetabolite antitumor combination Gemcitabine cancer treatment
Computed Properties
Molecular Weight:550.7
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:550.31552045
Monoisotopic Mass:550.31552045
Topological Polar Surface Area:83.6
Heavy Atom Count:40
Complexity:859
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes