
 CHEMBL299440

 63 67  0  0  0  0  0  0  0  0999 V2000
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    6.2367    3.3544   -3.1473 H   0  0  0  0  0
    2.2312    4.8977    1.3049 H   0  0  0  0  0
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    1.3946   10.1205    4.0472 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL299440

>  <PubChem CID>
18917509

>  <Formula>
C28H26N4O5

>  <Molecular Weight>
498.539000

>  <IUPAC Name>
N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)pyridin-2-yl]-3,4,5-trimethoxybenzamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C28H26N4O5/c1-35-23-13-20(14-24(36-2)26(23)37-3)27(33)30-25-11-10-18(15-29-25)28(34)32-17-21-8-6-12-31(21)16-19-7-4-5-9-22(19)32/h4-15H,16-17H2,1-3H3,(H,29,30,33)

>  <InChI Key>
FANVPLDNXWLTSP-UHFFFAOYSA-N

