
 CHEMBL297868

 47 50  0  0  0  0  0  0  0  0999 V2000
    2.5743    0.5010   -2.4686 C   0  0  0  0  0
    2.3010   -0.0413   -1.0699 C   0  0  0  0  0
    2.8087    0.8873    0.0525 C   0  0  0  0  0
    2.3582    0.3778    1.4371 C   0  0  0  0  0
    2.7330    1.3203    2.5758 C   0  0  0  0  0
    4.2458    1.1158   -0.0119 N   0  0  0  0  0
    5.2845    0.2207    0.0475 C   0  0  0  0  0
    5.3780   -1.1591    0.2056 C   0  0  0  0  0
    6.6719   -1.6685    0.1691 C   0  0  0  0  0
    7.7822   -0.9061    0.0073 N   0  0  0  0  0
    7.7054    0.4512   -0.1611 C   0  0  0  0  0
    6.4075    1.0246   -0.1193 C   0  0  0  0  0
    6.0069    2.3345   -0.2407 N   0  0  0  0  0
    4.6881    2.3792   -0.1643 N   0  0  0  0  0
    8.8649    1.2079   -0.3252 N   0  0  0  0  0
    8.9183    2.5568    0.2584 C   0  0  0  0  0
   10.3985    2.9304    0.4174 C   0  0  0  0  0
   11.0595    1.9312   -0.4716 C   0  0  0  0  0
   12.3898    1.9262   -0.8662 C   0  0  0  0  0
   12.8166    0.8964   -1.6966 C   0  0  0  0  0
   11.9268   -0.0940   -2.1216 C   0  0  0  0  0
   10.5826   -0.0749   -1.7139 C   0  0  0  0  0
   10.1420    0.9365   -0.8593 C   0  0  0  0  0
    9.5506   -1.2569   -2.4295 Cl  0  0  0  0  0
   14.4525    0.8589   -2.2296 Cl  0  0  0  0  0
    6.8828   -3.1523    0.2815 C   0  0  0  0  0
    2.1971   -0.1977   -3.2207 H   0  0  0  0  0
    3.6442    0.6362   -2.6496 H   0  0  0  0  0
    2.0740    1.4620   -2.6184 H   0  0  0  0  0
    2.7453   -1.0379   -0.9837 H   0  0  0  0  0
    1.2172   -0.1759   -0.9629 H   0  0  0  0  0
    2.3367    1.8691   -0.1022 H   0  0  0  0  0
    2.7787   -0.6123    1.6415 H   0  0  0  0  0
    1.2679    0.2618    1.4357 H   0  0  0  0  0
    3.8181    1.3979    2.6927 H   0  0  0  0  0
    2.3251    0.9482    3.5201 H   0  0  0  0  0
    2.3311    2.3236    2.4042 H   0  0  0  0  0
    4.5158   -1.8004    0.3340 H   0  0  0  0  0
    8.4339    3.2727   -0.4152 H   0  0  0  0  0
    8.4210    2.6115    1.2342 H   0  0  0  0  0
   10.5834    3.9617    0.1009 H   0  0  0  0  0
   10.7322    2.7951    1.4522 H   0  0  0  0  0
   13.0714    2.7050   -0.5413 H   0  0  0  0  0
   12.2738   -0.8746   -2.7950 H   0  0  0  0  0
    7.9487   -3.3965    0.2837 H   0  0  0  0  0
    6.4173   -3.6607   -0.5681 H   0  0  0  0  0
    6.4438   -3.5292    1.2108 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 26 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL297868

>  <PubChem CID>
18629227

>  <Formula>
C19H21Cl2N5

>  <Molecular Weight>
390.312000

>  <IUPAC Name>
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(CC)N1C2=CC(=NC(=C2N=N1)N3CCC4=CC(=CC(=C43)Cl)Cl)C

>  <Isomeric SMILES>
CCC(CC)N1C2=CC(=NC(=C2N=N1)N3CCC4=CC(=CC(=C43)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3

>  <InChI Key>
BEGBSSPFQACGIG-UHFFFAOYSA-N

