
 CHEMBL2346666

 53 55  0  0  0  0  0  0  0  0999 V2000
    5.2123    0.3556   -2.3342 C   0  0  0  0  0
    4.8309    1.7543   -2.8209 C   0  0  0  0  0
    3.3227    1.8980   -2.9425 C   0  0  0  0  0
    2.4995    2.1917   -1.8420 C   0  0  0  0  0
    1.1184    2.3276   -1.9987 C   0  0  0  0  0
    0.5369    2.1511   -3.2513 C   0  0  0  0  0
    1.3346    1.8365   -4.3490 C   0  0  0  0  0
    2.7166    1.7108   -4.1957 C   0  0  0  0  0
    5.3926    2.7836   -1.9599 N   0  0  0  0  0
    6.6580    3.2658   -2.1600 C   0  0  0  0  0
    7.4085    2.8935   -3.0487 O   0  0  0  0  0
    6.9578    4.2422   -1.2419 N   0  0  0  0  0
    8.1834    5.0102   -1.3600 C   0  0  0  0  0
    9.3698    4.2688   -0.7467 C   0  0  0  0  0
   10.6649    5.1165   -0.7085 C   0  0  0  0  0
   11.7270    4.5463    0.2371 C   0  0  0  0  0
   11.8131    3.1777    0.5434 C   0  0  0  0  0
   12.7774    2.7004    1.4345 C   0  0  0  0  0
   13.6789    3.5808    2.0261 C   0  0  0  0  0
   13.6232    4.9375    1.7188 C   0  0  0  0  0
   12.6590    5.4168    0.8284 C   0  0  0  0  0
   11.1900    5.3934   -2.1145 C   0  0  0  0  0
   10.8768    6.6062   -2.7533 C   0  0  0  0  0
   11.2860    6.8519   -4.0655 C   0  0  0  0  0
   12.0267    5.8961   -4.7560 C   0  0  0  0  0
   12.3551    4.6942   -4.1338 C   0  0  0  0  0
   11.9345    4.4407   -2.8274 C   0  0  0  0  0
    6.3007    0.2453   -2.2730 H   0  0  0  0  0
    4.8342   -0.4126   -3.0164 H   0  0  0  0  0
    4.8039    0.1508   -1.3392 H   0  0  0  0  0
    5.2699    1.8962   -3.8165 H   0  0  0  0  0
    2.9225    2.3241   -0.8490 H   0  0  0  0  0
    0.4968    2.5709   -1.1426 H   0  0  0  0  0
   -0.5381    2.2566   -3.3730 H   0  0  0  0  0
    0.8816    1.6918   -5.3273 H   0  0  0  0  0
    3.3214    1.4686   -5.0662 H   0  0  0  0  0
    5.0626    2.8259   -1.0098 H   0  0  0  0  0
    6.1566    4.7169   -0.8549 H   0  0  0  0  0
    8.0140    5.9564   -0.8338 H   0  0  0  0  0
    8.3510    5.2327   -2.4185 H   0  0  0  0  0
    9.5340    3.3319   -1.2925 H   0  0  0  0  0
    9.0934    3.9853    0.2795 H   0  0  0  0  0
   10.3824    6.0832   -0.2622 H   0  0  0  0  0
   11.1320    2.4592    0.0941 H   0  0  0  0  0
   12.8221    1.6382    1.6646 H   0  0  0  0  0
   14.4255    3.2079    2.7204 H   0  0  0  0  0
   14.3317    5.6248    2.1721 H   0  0  0  0  0
   12.6367    6.4799    0.5983 H   0  0  0  0  0
   10.2898    7.3640   -2.2393 H   0  0  0  0  0
   11.0180    7.7867   -4.5533 H   0  0  0  0  0
   12.3412    6.0838   -5.7785 H   0  0  0  0  0
   12.9307    3.9450   -4.6709 H   0  0  0  0  0
   12.1891    3.4857   -2.3740 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 26 27  2  0  0  0
 26 52  1  0  0  0
 27 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2346666

>  <PubChem CID>
67404227

>  <Formula>
C24H26N2O

>  <Molecular Weight>
358.485000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-3-[(1R)-1-phenylethyl]urea

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC=C1)NC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
C[C@H](C1=CC=CC=C1)NC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H26N2O/c1-19(20-11-5-2-6-12-20)26-24(27)25-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H2,25,26,27)/t19-/m1/s1

>  <InChI Key>
CAZBDURCPDIMPA-LJQANCHMSA-N

