
 CHEMBL196390

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL196390

>  <PubChem CID>
44402419

>  <Formula>
C28H31N5O2

>  <Molecular Weight>
469.589000

>  <IUPAC Name>
1-[2-(4-phenoxyphenyl)ethyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]urea

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)NC(=O)NCCC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)NC(=O)NCCC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C28H31N5O2/c34-28(29-15-14-22-8-11-26(12-9-22)35-25-6-2-1-3-7-25)31-24-10-13-27-23(20-24)21-30-33(27)19-18-32-16-4-5-17-32/h1-3,6-13,20-21H,4-5,14-19H2,(H2,29,31,34)

>  <InChI Key>
AMTYGMJDBHQSJT-UHFFFAOYSA-N

