
 CHEMBL1632413

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.9895   -1.3940    0.4746 C   0  0  0  0  0
    2.6628   -0.1091    0.2927 N   0  0  0  0  0
    4.0718   -0.2864   -0.1263 C   0  0  0  0  0
    4.2708   -0.7694   -1.5811 C   0  0  0  0  0
    3.5487    0.1017   -2.5240 N   0  0  0  0  0
    2.1272    0.2687   -2.1773 C   0  0  0  0  0
    1.9695    0.7289   -0.7114 C   0  0  0  0  0
    3.8473   -0.0161   -3.8770 C   0  0  0  0  0
    3.6784   -1.0723   -4.6270 N   0  0  0  0  0
    3.1112   -2.1483   -3.9336 O   0  0  0  0  0
    4.3871    1.1319   -4.5906 C   0  0  0  0  0
    4.7092    2.3958   -4.1288 C   0  0  0  0  0
    5.1855    3.1664   -5.2253 C   0  0  0  0  0
    5.1488    2.3438   -6.3504 C   0  0  0  0  0
    4.6712    1.1236   -5.9373 N   0  0  0  0  0
    5.5458    2.7758   -7.6212 C   0  0  0  0  0
    5.9957    4.0943   -7.7414 C   0  0  0  0  0
    6.0430    4.9347   -6.6310 C   0  0  0  0  0
    5.6435    4.4904   -5.3665 C   0  0  0  0  0
    6.6035    6.5537   -6.8185 Cl  0  0  0  0  0
    0.9624   -1.2382    0.8239 H   0  0  0  0  0
    2.4949   -1.9820    1.2489 H   0  0  0  0  0
    1.9484   -1.9986   -0.4370 H   0  0  0  0  0
    4.5843   -0.9704    0.5615 H   0  0  0  0  0
    4.5763    0.6820   -0.0106 H   0  0  0  0  0
    5.3427   -0.7492   -1.8124 H   0  0  0  0  0
    3.9365   -1.8084   -1.6693 H   0  0  0  0  0
    1.6769    1.0271   -2.8289 H   0  0  0  0  0
    1.5825   -0.6678   -2.3420 H   0  0  0  0  0
    2.3699    1.7479   -0.6237 H   0  0  0  0  0
    0.9040    0.8087   -0.4632 H   0  0  0  0  0
    3.0655   -2.8367   -4.6214 H   0  0  0  0  0
    4.6044    2.7284   -3.1042 H   0  0  0  0  0
    4.5286    0.3140   -6.5256 H   0  0  0  0  0
    5.5074    2.1179   -8.4836 H   0  0  0  0  0
    6.3103    4.4604   -8.7158 H   0  0  0  0  0
    5.6826    5.1520   -4.5071 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 11  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1632413

>  <PubChem CID>
136030655

>  <Formula>
C14H17ClN4O

>  <Molecular Weight>
292.767000

>  <IUPAC Name>
(NZ)-N-[(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methylidene]hydroxylamine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCN(CC1)C(=NO)C2=CC3=C(N2)C=CC(=C3)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)/C(=N\O)/C2=CC3=C(N2)C=CC(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C14H17ClN4O/c1-18-4-6-19(7-5-18)14(17-20)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16,20H,4-7H2,1H3/b17-14-

>  <InChI Key>
YSEFYTJOKARSSH-VKAVYKQESA-N

