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CBMicro_000587,Oprea1_038315,Oprea1_554850,STK342819,ZINC00197092,BAS

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摘 要:CBMicro_000587,Oprea1_038315,Oprea1_554850,STK342819,ZINC00197092,BAS 00481610,BIM-0000503.P001,EU-0069144,(7-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-yl-methanone, (7-methyl-5-phenylpyrazolo[1,,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylm
[Synonyms]
CBMicro_000587
Oprea1_038315
Oprea1_554850
STK342819
ZINC00197092
BAS 00481610
BIM-0000503.P001
EU-0069144
(7-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-yl-methanone

[Structure]
CBMicro_000587,Oprea1_038315,Oprea1_554850,STK342819,ZINC00197092,BAS

[ Properties Computed from Structure]
Molecular Weight306.36172 [g/mol]
Molecular FormulaC18H18N4O
XLogP1.6
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count2
Exact Mass306.148061
MonoIsotopic Mass306.148061
Topological Polar Surface Area50.5
Heavy Atom Count23
Formal Charge0
Complexity431
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (7-methyl-5-phenylpyrazolo[1,
5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
Canonical SMILES: CC1=CC(=NC2=CC(=NN12)C(=O)N3CCCC3)C4=CC=CC=C4
InChI: InChI=1/C18H18N4O/c1-13-11-15(14-7-3-2-4-8-14)19-17-12-16(20-22(13)17)18
(23)21-9-5-6-10-21/h2-4,7-8,11-12H,5-6,9-10H2,1H3

 
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