
 CHEMBL424836

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

>  <Chemical Name>
CHEMBL424836

>  <PubChem CID>
44402567

>  <Formula>
C28H31N5O3

>  <Molecular Weight>
485.588000

>  <IUPAC Name>
1-[1-[3-(4-hydroxypiperidin-1-yl)propyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1O)CCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CN(CCC1O)CCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C28H31N5O3/c34-24-13-17-32(18-14-24)15-4-16-33-27-12-9-23(19-21(27)20-29-33)31-28(35)30-22-7-10-26(11-8-22)36-25-5-2-1-3-6-25/h1-3,5-12,19-20,24,34H,4,13-18H2,(H2,30,31,35)

>  <InChI Key>
CQEKVDIALJJBIO-UHFFFAOYSA-N

