
 CHEMBL1644488

 45 48  0  0  0  0  0  0  0  0999 V2000
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    1.3973    0.0751   -1.8613 C   0  0  0  0  0
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    1.9208   -2.0659   -0.7944 C   0  0  0  0  0
    4.5535   -2.3840   -0.5563 C   0  0  0  0  0
    5.6089   -1.5085   -0.7585 C   0  0  0  0  0
    5.1114   -0.2767   -1.1174 N   0  0  0  0  0
    5.9284    0.9062   -1.3709 C   0  0  0  0  0
    6.6872    1.3610   -0.1462 C   0  0  0  0  0
    8.0880    1.4360   -0.1699 C   0  0  0  0  0
    8.7956    1.8729    0.9518 C   0  0  0  0  0
    8.1116    2.2435    2.1076 C   0  0  0  0  0
    6.7204    2.1781    2.1435 C   0  0  0  0  0
    6.0103    1.7422    1.0229 C   0  0  0  0  0
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    5.7941   -4.1272    0.7176 C   0  0  0  0  0
    5.9951   -5.4600    1.0923 C   0  0  0  0  0
    5.1449   -6.4494    0.6080 C   0  0  0  0  0
    4.1002   -6.1186   -0.2500 C   0  0  0  0  0
    3.9081   -4.7860   -0.6321 C   0  0  0  0  0
    5.3887   -8.0895    1.0668 Cl  0  0  0  0  0
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    4.9241    1.6907    1.0717 H   0  0  0  0  0
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    6.8140   -5.7133    1.7597 H   0  0  0  0  0
    3.4362   -6.8888   -0.6327 H   0  0  0  0  0
    3.1050   -4.5586   -1.3267 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1644488

>  <PubChem CID>
11404955

>  <Formula>
C21H21ClN2

>  <Molecular Weight>
336.863000

>  <IUPAC Name>
1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC2=C(C1)C(=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CN1CCC2=C(C1)C(=CN2CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H21ClN2/c1-23-12-11-21-20(14-23)19(17-7-9-18(22)10-8-17)15-24(21)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3

>  <InChI Key>
CXFFUFSJNZALTH-UHFFFAOYSA-N

