
 NSC95090

 78 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
NSC95090

>  <PubChem CID>
3251

>  <Formula>
C33H35N5O5

>  <Molecular Weight>
581.673000

>  <IUPAC Name>


>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C

>  <Isomeric SMILES>
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C

>  <InChI Std. ID>
InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)

>  <InChI Key>
XCGSFFUVFURLIX-UHFFFAOYSA-N

