
 CHEMBL119847

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.9255    0.1077    0.0019 C   0  0  0  0  0
    2.4136    0.0911    0.0176 C   0  0  0  0  0
    3.1391    1.1837    0.1565 N   0  0  0  0  0
    4.4371    0.7663    0.2592 C   0  0  0  0  0
    4.5247   -0.6210    0.1688 C   0  0  0  0  0
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    2.7808   -2.4110   -0.0981 C   0  0  0  0  0
    3.4084   -3.4085    0.6604 C   0  0  0  0  0
    3.0086   -4.7440    0.5457 C   0  0  0  0  0
    1.9802   -5.0958   -0.3330 C   0  0  0  0  0
    1.3343   -4.0989   -1.0719 C   0  0  0  0  0
    1.7356   -2.7623   -0.9611 C   0  0  0  0  0
    1.5390   -6.5120   -0.4812 C   0  0  0  0  0
    0.2925   -6.7666   -0.7278 N   0  0  0  0  0
   -0.1691   -8.0952   -0.8426 C   0  0  0  0  0
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    2.3072   -8.3201    0.9746 C   0  0  0  0  0
    3.1450   -8.2478    1.8773 O   0  0  0  0  0
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    5.7701   -1.2631    0.1741 C   0  0  0  0  0
    6.8716   -0.4332    0.3363 C   0  0  0  0  0
    6.8179    0.9096    0.4667 N   0  0  0  0  0
    5.6053    1.5189    0.4202 C   0  0  0  0  0
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    0.5484    0.0450   -1.0226 H   0  0  0  0  0
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    4.1767   -3.1673    1.3921 H   0  0  0  0  0
    3.4928   -5.4864    1.1763 H   0  0  0  0  0
    0.5244   -4.3605   -1.7509 H   0  0  0  0  0
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    3.5756   -7.2128   -0.3304 H   0  0  0  0  0
    2.5031   -8.3059   -1.1601 H   0  0  0  0  0
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    1.5083   -9.4724    3.1074 H   0  0  0  0  0
    1.4376  -10.8977    2.0550 H   0  0  0  0  0
    5.8920   -2.3299    0.0432 H   0  0  0  0  0
    7.8756   -0.8513    0.3587 H   0  0  0  0  0
    5.5924    2.5983    0.5039 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  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 29  1  0  0  0
  5 26  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
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  9 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL119847

>  <PubChem CID>
10452437

>  <Formula>
C23H19N5O

>  <Molecular Weight>
381.439000

>  <IUPAC Name>
1-methyl-4-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-3H-1,5-benzodiazepin-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N(C(=O)C4)C)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N(C(=O)C4)C)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C23H19N5O/c1-15-25-20-14-24-12-11-22(20)28(15)17-9-7-16(8-10-17)19-13-23(29)27(2)21-6-4-3-5-18(21)26-19/h3-12,14H,13H2,1-2H3

>  <InChI Key>
FWMSCMAWBURVDX-UHFFFAOYSA-N

