
 GW7854

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M  END

>  <Chemical Name>
GW7854

>  <PubChem CID>
9960432

>  <Formula>
C34H31N5O6

>  <Molecular Weight>
605.651000

>  <IUPAC Name>
3-[[2,4-dioxo-1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]-5-phenyl-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(C)N(C1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N(C(=O)C(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)

>  <InChI Key>
CABBMMXFOOZVMS-UHFFFAOYSA-N

