
 CHEMBL3915823

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3915823

>  <PubChem CID>
89995537

>  <Formula>
C30H36N4O3

>  <Molecular Weight>
500.643000

>  <IUPAC Name>
tert-butyl 4-[cyclopropyl-[4-(5-methyl-4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylate

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N=CN1C2=CC=C(C=C2)C(=O)N(C3CC3)C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(N=CN1C2=CC=C(C=C2)C(=O)N(C3CC3)C4CCN(CC4)C(=O)OC(C)(C)C)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H36N4O3/c1-21-27(22-8-6-5-7-9-22)31-20-33(21)24-12-10-23(11-13-24)28(35)34(25-14-15-25)26-16-18-32(19-17-26)29(36)37-30(2,3)4/h5-13,20,25-26H,14-19H2,1-4H3

>  <InChI Key>
ATSQNOFADIUFLZ-UHFFFAOYSA-N

