
 CHEMBL2031291

 70 73  0  0  0  0  0  0  0  0999 V2000
    0.9206    0.4516    0.7316 C   0  0  0  0  0
    2.3327   -0.0225    0.5202 C   0  0  0  0  0
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    5.5085    0.9999   -0.1754 H   0  0  0  0  0
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   11.5755   -6.6823    0.6043 H   0  0  0  0  0
    2.2093    2.5518    0.2709 H   0  0  0  0  0
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    5.5278   11.0513   -2.5679 H   0  0  0  0  0
    3.8376    9.2916   -2.3522 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2031291

>  <PubChem CID>
136210512

>  <Formula>
C31H30N4O5

>  <Molecular Weight>
538.604000

>  <IUPAC Name>
3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(3-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H30N4O5/c1-19-13-14-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-12-8-11-21(15-22)20-9-6-5-7-10-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)

>  <InChI Key>
BQVVGHXOJLAFDL-UHFFFAOYSA-N

