
 CHEMBL196991

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL196991

>  <PubChem CID>
44402635

>  <Formula>
C26H34N6O

>  <Molecular Weight>
446.599000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CCN(C1)CCN2C3=C(C=C(C=C3)NC(=O)NC4CCN(CC4)CC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C26H34N6O/c33-26(28-23-10-14-31(15-11-23)20-21-6-2-1-3-7-21)29-24-8-9-25-22(18-24)19-27-32(25)17-16-30-12-4-5-13-30/h1-3,6-9,18-19,23H,4-5,10-17,20H2,(H2,28,29,33)

>  <InChI Key>
OGOPSZFRZRFQJT-UHFFFAOYSA-N

