
 CHEMBL197054

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

>  <Chemical Name>
CHEMBL197054

>  <PubChem CID>
11386451

>  <Formula>
C28H30N6O3

>  <Molecular Weight>
498.587000

>  <IUPAC Name>
1-[2-[5-[(4-phenoxyphenyl)carbamoylamino]indazol-1-yl]ethyl]piperidine-4-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1C(=O)N)CCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N)CCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C28H30N6O3/c29-27(35)20-12-14-33(15-13-20)16-17-34-26-11-8-23(18-21(26)19-30-34)32-28(36)31-22-6-9-25(10-7-22)37-24-4-2-1-3-5-24/h1-11,18-20H,12-17H2,(H2,29,35)(H2,31,32,36)

>  <InChI Key>
KIOITPZEEHNURK-UHFFFAOYSA-N

