
 CHEMBL265987

104109  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL265987

>  <PubChem CID>
44279811

>  <Formula>
C43H49N7O5

>  <Molecular Weight>
743.909000

>  <IUPAC Name>
3-[[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)CC(=O)NCCC(=O)NCCCOC4=CC=CC(=C4)CN5CCCCC5)C6=CC=CC=C6

>  <Isomeric SMILES>
CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)CC(=O)NCCC(=O)NCCCOC4=CC=CC(=C4)CN5CCCCC5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C43H49N7O5/c1-49-37-20-7-6-19-36(37)40(33-15-4-2-5-16-33)47-41(42(49)53)48-43(54)46-34-17-10-13-31(27-34)29-39(52)45-23-21-38(51)44-22-12-26-55-35-18-11-14-32(28-35)30-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,41H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,52)(H2,46,48,54)/t41-/m0/s1

>  <InChI Key>
FOKCUERTAYBKPN-RWYGWLOXSA-N

