
 CHEMBL345657

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL345657

>  <PubChem CID>
10525100

>  <Formula>
C23H27N7

>  <Molecular Weight>
401.518000

>  <IUPAC Name>
N-(pyridin-3-ylmethyl)-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CC1CNCC2=CN=CC=C2)CCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

>  <Isomeric SMILES>
C1CN(C[C@@H]1CNCC2=CN=CC=C2)CCC3=CNC4=C3C=C(C=C4)N5C=NN=C5

>  <InChI Std. ID>
InChI=1S/C23H27N7/c1-2-18(11-24-7-1)12-25-13-19-5-8-29(15-19)9-6-20-14-26-23-4-3-21(10-22(20)23)30-16-27-28-17-30/h1-4,7,10-11,14,16-17,19,25-26H,5-6,8-9,12-13,15H2/t19-/m0/s1

>  <InChI Key>
AZZSQWLCJMOLKZ-IBGZPJMESA-N

