
 CHEMBL571758

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.2166    0.0272   -0.0879 C   0  0  0  0  0
    1.6432    0.0189    0.1575 N   0  0  0  0  0
    2.3572    1.1644    0.3985 C   0  0  0  0  0
    3.6669    0.8129    0.6068 C   0  0  0  0  0
    3.7692   -0.6069    0.4883 C   0  0  0  0  0
    2.4763   -1.0870    0.1951 C   0  0  0  0  0
    2.2625   -2.4609    0.0147 C   0  0  0  0  0
    3.3825   -3.2669    0.1429 C   0  0  0  0  0
    4.6271   -2.8322    0.4285 N   0  0  0  0  0
    4.8658   -1.5078    0.6145 C   0  0  0  0  0
    6.1426   -1.0441    0.9674 N   0  0  0  0  0
    7.3664   -1.7115    1.1449 C   0  0  0  0  0
    8.3648   -1.0942    1.9147 C   0  0  0  0  0
    9.5770   -1.7402    2.1671 C   0  0  0  0  0
    9.8232   -3.0107    1.6575 C   0  0  0  0  0
    8.8457   -3.6370    0.8907 C   0  0  0  0  0
    7.6284   -2.9924    0.6438 C   0  0  0  0  0
   10.7747   -0.9605    3.1283 Cl  0  0  0  0  0
    0.6018   -3.2642   -0.3767 Br  0  0  0  0  0
    0.0306   -0.3777   -1.0850 H   0  0  0  0  0
   -0.1563    1.0547   -0.0465 H   0  0  0  0  0
   -0.2750   -0.5596    0.6913 H   0  0  0  0  0
    1.8798    2.1365    0.4051 H   0  0  0  0  0
    4.4685    1.5074    0.8198 H   0  0  0  0  0
    3.3108   -4.3450    0.0190 H   0  0  0  0  0
    6.1563   -0.0631    1.2053 H   0  0  0  0  0
    8.1936   -0.1092    2.3387 H   0  0  0  0  0
   10.7640   -3.5161    1.8555 H   0  0  0  0  0
    9.0207   -4.6303    0.4853 H   0  0  0  0  0
    6.8898   -3.5091    0.0365 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL571758

>  <PubChem CID>
45487767

>  <Formula>
C14H11BrClN3

>  <Molecular Weight>
336.617000

>  <IUPAC Name>
7-bromo-N-(3-chlorophenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C=CC2=C1C(=CN=C2NC3=CC(=CC=C3)Cl)Br

>  <Isomeric SMILES>
CN1C=CC2=C1C(=CN=C2NC3=CC(=CC=C3)Cl)Br

>  <InChI Std. ID>
InChI=1S/C14H11BrClN3/c1-19-6-5-11-13(19)12(15)8-17-14(11)18-10-4-2-3-9(16)7-10/h2-8H,1H3,(H,17,18)

>  <InChI Key>
JFIOFXPCIFBCIW-UHFFFAOYSA-N

