
 carboxylic acid agonist, 20

 47 50  0  0  0  0  0  0  0  0999 V2000
   -2.7959   -1.3680    1.7471 C   0  0  0  0  0
   -2.8033   -0.4096    0.5805 C   0  0  0  0  0
   -3.9793   -0.4611    1.5424 C   0  0  0  0  0
   -4.2596    0.7105    2.3945 C   0  0  0  0  0
   -5.2879    1.3620    2.3264 O   0  0  0  0  0
   -3.2776    1.0276    3.2627 O   0  0  0  0  0
   -2.9565   -0.9294   -0.8278 C   0  0  0  0  0
   -2.0346   -1.8259   -1.3836 C   0  0  0  0  0
   -2.1748   -2.3003   -2.6960 C   0  0  0  0  0
   -3.2203   -1.8678   -3.5192 C   0  0  0  0  0
   -4.1570   -0.9958   -2.9577 C   0  0  0  0  0
   -4.0178   -0.5228   -1.6457 C   0  0  0  0  0
   -3.3579   -2.4270   -4.7959 N   0  0  0  0  0
   -4.0656   -1.6625   -5.8138 C   0  0  0  0  0
   -4.0472   -2.4093   -7.1265 C   0  0  0  0  0
   -3.0661   -2.1520   -8.0894 C   0  0  0  0  0
   -3.0901   -2.8153   -9.3231 C   0  0  0  0  0
   -4.0817   -3.7643   -9.6294 C   0  0  0  0  0
   -5.0355   -4.0402   -8.6347 C   0  0  0  0  0
   -5.0194   -3.3766   -7.4027 C   0  0  0  0  0
   -4.1287   -4.4358  -10.9485 C   0  0  0  0  0
   -5.3526   -4.6789  -11.6003 C   0  0  0  0  0
   -5.4035   -5.3075  -12.8488 C   0  0  0  0  0
   -4.2276   -5.6999  -13.4794 C   0  0  0  0  0
   -3.0033   -5.4684  -12.8601 C   0  0  0  0  0
   -2.9563   -4.8474  -11.6072 C   0  0  0  0  0
   -2.9405   -2.4260    1.5572 H   0  0  0  0  0
   -2.1146   -1.1631    2.5650 H   0  0  0  0  0
   -2.1390    0.4485    0.6763 H   0  0  0  0  0
   -4.8873   -0.9569    1.2033 H   0  0  0  0  0
   -3.6261    1.8178    3.7268 H   0  0  0  0  0
   -1.1944   -2.1725   -0.7854 H   0  0  0  0  0
   -1.4456   -3.0147   -3.0701 H   0  0  0  0  0
   -5.0274   -0.6687   -3.5168 H   0  0  0  0  0
   -4.7650    0.1664   -1.2570 H   0  0  0  0  0
   -2.4826   -2.8081   -5.1455 H   0  0  0  0  0
   -3.6031   -0.6762   -5.9470 H   0  0  0  0  0
   -5.1125   -1.4979   -5.5331 H   0  0  0  0  0
   -2.2854   -1.4194   -7.8972 H   0  0  0  0  0
   -2.3297   -2.5606  -10.0586 H   0  0  0  0  0
   -5.8090   -4.7860   -8.8066 H   0  0  0  0  0
   -5.7776   -3.6154   -6.6593 H   0  0  0  0  0
   -6.2895   -4.3652  -11.1445 H   0  0  0  0  0
   -6.3633   -5.4842  -13.3274 H   0  0  0  0  0
   -4.2651   -6.1847  -14.4513 H   0  0  0  0  0
   -2.0813   -5.7730  -13.3483 H   0  0  0  0  0
   -1.9840   -4.6974  -11.1430 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
carboxylic acid agonist, 20

>  <PubChem CID>
24825485

>  <Formula>
C23H21NO2

>  <Molecular Weight>
343.426000

>  <IUPAC Name>
2-[4-[(4-phenylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(C1C(=O)O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1C(C1C(=O)O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H21NO2/c25-23(26)22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,21-22,24H,14-15H2,(H,25,26)

>  <InChI Key>
AYQLRMNZMKEEKX-UHFFFAOYSA-N

