
 CHEMBL299164

 84 89  0  0  0  0  0  0  0  0999 V2000
    0.0019    0.4076    0.1205 C   0  0  0  0  0
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   15.2813   -5.0144   -8.9003 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL299164

>  <PubChem CID>
10281725

>  <Formula>
C34H41N7O2

>  <Molecular Weight>
579.749000

>  <IUPAC Name>
1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]urea

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CN=CC=C5)C6CCCCC6

>  <Isomeric SMILES>
CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CN=CC=C5)C6CCCCC6

>  <InChI Std. ID>
InChI=1S/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)

>  <InChI Key>
AIHOVEHIRAAXQV-UHFFFAOYSA-N

