
 CHEMBL133186

 74 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL133186

>  <PubChem CID>
10699094

>  <Formula>
C32H31Cl2N5O4

>  <Molecular Weight>
620.531000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dichloro-3-[[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(N1C2=C(C=CC=N2)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NC)Cl)C

>  <Isomeric SMILES>
CC1=CC=C(N1C2=C(C=CC=N2)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NC)Cl)C

>  <InChI Std. ID>
InChI=1S/C32H31Cl2N5O4/c1-20-7-8-21(2)39(20)31-27(6-5-17-36-31)43-19-24-25(33)14-15-26(30(24)34)38(4)29(41)18-37-28(40)16-11-22-9-12-23(13-10-22)32(42)35-3/h5-17H,18-19H2,1-4H3,(H,35,42)(H,37,40)/b16-11+

>  <InChI Key>
CRVYTVKMJIWJCS-LFIBNONCSA-N

