
 CHEMBL427121

 56 60  0  0  0  0  0  0  0  0999 V2000
    3.0823   -0.7322   -2.1869 C   0  0  0  0  0
    3.0494   -0.1859   -0.8050 C   0  0  0  0  0
    3.2205    1.0872   -0.5065 N   0  0  0  0  0
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    6.3203   -3.5123    0.6879 C   0  0  0  0  0
    6.1825   -4.8944    0.5223 C   0  0  0  0  0
    4.9047   -5.4424    0.3792 C   0  0  0  0  0
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    7.3611   -5.8069    0.5406 C   0  0  0  0  0
    7.2291   -6.9217    1.0396 O   0  0  0  0  0
    8.6274   -5.3588   -0.0408 C   0  0  0  0  0
    8.7875   -4.4660   -1.0856 C   0  0  0  0  0
   10.1370   -4.2987   -1.3682 N   0  0  0  0  0
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   12.2475   -5.2097   -0.2784 C   0  0  0  0  0
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   10.4400   -6.6793    1.2982 C   0  0  0  0  0
    9.9431   -5.7712    0.3333 C   0  0  0  0  0
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   11.7518   -2.8836   -2.1404 O   0  0  0  0  0
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   10.3639   -2.3276   -4.4800 C   0  0  0  0  0
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    3.0300    0.8791    3.5610 C   0  0  0  0  0
    3.2325    2.1189    3.0594 N   0  0  0  0  0
    3.3037    2.2748    1.7100 C   0  0  0  0  0
    2.5123   -1.6571   -2.2947 H   0  0  0  0  0
    4.1171   -0.9233   -2.4878 H   0  0  0  0  0
    2.6567   -0.0032   -2.8848 H   0  0  0  0  0
    2.0291   -2.6566   -0.4297 H   0  0  0  0  0
    2.0636   -2.5627    1.3291 H   0  0  0  0  0
    5.3572   -1.6116    0.7774 H   0  0  0  0  0
    7.2956   -3.0632    0.8632 H   0  0  0  0  0
    4.7777   -6.5207    0.2950 H   0  0  0  0  0
    2.7978   -5.0624    0.2330 H   0  0  0  0  0
    8.0544   -3.9119   -1.6562 H   0  0  0  0  0
   12.9567   -4.6503   -0.8840 H   0  0  0  0  0
   13.7809   -6.2417    0.8196 H   0  0  0  0  0
   12.1937   -7.5475    2.1943 H   0  0  0  0  0
    9.7515   -7.2550    1.9104 H   0  0  0  0  0
    9.1827   -5.3461   -3.4857 H   0  0  0  0  0
    9.6539   -4.7414   -5.0669 H   0  0  0  0  0
    8.1652   -4.1197   -4.3055 H   0  0  0  0  0
   10.8102   -1.4740   -3.9627 H   0  0  0  0  0
    9.4975   -1.9868   -5.0529 H   0  0  0  0  0
   11.1106   -2.7585   -5.1562 H   0  0  0  0  0
    2.7309   -1.2437    3.2641 H   0  0  0  0  0
    2.9910    0.8312    4.6470 H   0  0  0  0  0
    3.4732    3.2765    1.3369 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5 30  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL427121

>  <PubChem CID>
10670617

>  <Formula>
C26H23N5O2

>  <Molecular Weight>
437.503000

>  <IUPAC Name>
N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC=C54)C(=O)N(C)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CN(C5=CC=CC=C54)C(=O)N(C)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C26H23N5O2/c1-17-28-22-14-27-13-12-24(22)30(17)15-18-8-10-19(11-9-18)25(32)21-16-31(26(33)29(2)3)23-7-5-4-6-20(21)23/h4-14,16H,15H2,1-3H3

>  <InChI Key>
FPRJEURLENJJFD-UHFFFAOYSA-N

