
 CHEMBL42747

 73 76  0  0  0  0  0  0  0  0999 V2000
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    8.1620   -4.1085   -2.5779 H   0  0  0  0  0
    9.1934   -5.2794   -0.6986 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL42747

>  <PubChem CID>
44288067

>  <Formula>
C30H35N5O3

>  <Molecular Weight>
513.642000

>  <IUPAC Name>
N-[5-(diaminomethylideneamino)-1-(7-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1-oxopentan-2-yl]-2,2-diphenylacetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2=C(CN(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)O

>  <Isomeric SMILES>
C1CC2=C(CN(C1)C(=O)C(CCCN=C(N)N)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)O

>  <InChI Std. ID>
InChI=1S/C30H35N5O3/c31-30(32)33-17-7-14-26(29(38)35-18-8-13-23-19-25(36)16-15-24(23)20-35)34-28(37)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26-27,36H,7-8,13-14,17-18,20H2,(H,34,37)(H4,31,32,33)

>  <InChI Key>
APXQNCYYJXLPGT-UHFFFAOYSA-N

