
 CHEMBL480114

 73 76  0  0  0  0  0  0  0  0999 V2000
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    8.6588   -7.2282   -1.4283 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL480114

>  <PubChem CID>
44561484

>  <Formula>
C27H34N10O2

>  <Molecular Weight>
530.637000

>  <IUPAC Name>
5-[3-(diaminomethylideneamino)propanoylamino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide

>  <XlogP>
0.0

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CCN=C(N)N

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC4=C(N3CCCN=C(N)N)C=CC(=C4)NC(=O)CCN=C(N)N

>  <InChI Std. ID>
InChI=1S/C27H34N10O2/c28-26(29)33-10-3-13-37-22-7-6-19(36-24(38)9-12-34-27(30)31)14-18(22)15-23(37)25(39)32-11-8-17-16-35-21-5-2-1-4-20(17)21/h1-2,4-7,14-16,35H,3,8-13H2,(H,32,39)(H,36,38)(H4,28,29,33)(H4,30,31,34)

>  <InChI Key>
CGZUGSQBAVEODG-UHFFFAOYSA-N

