
 CHEMBL475382

 40 41  0  0  0  0  0  0  0  0999 V2000
   -0.2714    1.0930   -0.3367 C   0  0  0  0  0
   -0.4790    1.7374    1.0327 C   0  0  0  0  0
   -0.3856    0.2115    0.9006 C   0  0  0  0  0
    0.9104   -0.4502    1.3423 C   0  0  0  0  0
    1.7710    0.1936    2.2553 C   0  0  0  0  0
    2.9137   -0.4488    2.7359 C   0  0  0  0  0
    3.2294   -1.7360    2.3114 C   0  0  0  0  0
    2.3923   -2.3972    1.4140 C   0  0  0  0  0
    1.2141   -1.7753    0.9422 C   0  0  0  0  0
    0.2885   -2.5170    0.1337 N   0  0  0  0  0
   -0.1444   -3.7793    0.4577 C   0  0  0  0  0
    0.2883   -4.2907    1.4908 O   0  0  0  0  0
   -1.0857   -4.5928   -0.3930 C   0  0  0  0  0
   -1.4770   -5.8811    0.0184 C   0  0  0  0  0
   -2.3869   -6.6248   -0.7454 C   0  0  0  0  0
   -2.9124   -6.0966   -1.9279 C   0  0  0  0  0
   -2.5075   -4.8435   -2.3667 C   0  0  0  0  0
   -1.5905   -4.1112   -1.6291 C   0  0  0  0  0
   -1.8642    2.4039    1.0526 C   0  0  0  0  0
   -2.0973    3.0329    2.3472 N   0  0  0  0  0
    4.0742    2.9093   -0.5939 Cl  0  0  0  0  0
   -1.1275    0.8031   -0.9826 H   0  0  0  0  0
    0.7744    1.0542   -0.7117 H   0  0  0  0  0
    0.3993    2.4035    1.1628 H   0  0  0  0  0
   -1.3544   -0.2393    1.2112 H   0  0  0  0  0
    1.5407    1.1797    2.6283 H   0  0  0  0  0
    3.5498    0.0497    3.4551 H   0  0  0  0  0
    4.1082   -2.2350    2.7009 H   0  0  0  0  0
    2.6367   -3.4130    1.1227 H   0  0  0  0  0
   -0.0663   -2.0727   -0.7227 H   0  0  0  0  0
   -1.0962   -6.3038    0.9412 H   0  0  0  0  0
   -2.6952   -7.6071   -0.4174 H   0  0  0  0  0
   -3.6245   -6.6603   -2.5130 H   0  0  0  0  0
   -2.9003   -4.4273   -3.2860 H   0  0  0  0  0
   -1.2877   -3.1699   -2.0449 H   0  0  0  0  0
   -2.6859    1.6836    0.8353 H   0  0  0  0  0
   -1.8822    3.1928    0.2685 H   0  0  0  0  0
   -2.1705    2.2912    3.0808 H   0  0  0  0  0
   -3.0106    3.5424    2.3117 H   0  0  0  0  0
    3.9608    1.5612   -0.3467 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL475382

>  <PubChem CID>
44572311

>  <Formula>
C17H19ClN2O

>  <Molecular Weight>
302.802000

>  <IUPAC Name>
N-[2-[(1S,2S)-2-(aminomethyl)cyclopropyl]phenyl]benzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C(C1C2=CC=CC=C2NC(=O)C3=CC=CC=C3)CN.Cl

>  <Isomeric SMILES>
C1[C@@H]([C@H]1C2=CC=CC=C2NC(=O)C3=CC=CC=C3)CN.Cl

>  <InChI Std. ID>
InChI=1S/C17H18N2O.ClH/c18-11-13-10-15(13)14-8-4-5-9-16(14)19-17(20)12-6-2-1-3-7-12;/h1-9,13,15H,10-11,18H2,(H,19,20);1H/t13-,15+;/m1./s1

>  <InChI Key>
AAMOKYZNSKIWIM-PBCQUBLHSA-N

