
 CHEMBL1671874

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.7516   -0.2458   -0.4313 C   0  0  0  0  0
    2.2880   -0.1478   -0.4473 C   0  0  0  0  0
    2.9153   -0.7069    0.8593 C   0  0  0  0  0
    2.4243   -0.0233    2.0989 C   0  0  0  0  0
    1.7481   -0.5725    3.0845 N   0  0  0  0  0
    1.4800    0.4451    3.9607 C   0  0  0  0  0
    1.9972    1.6388    3.5051 C   0  0  0  0  0
    2.6268    1.3164    2.3291 N   0  0  0  0  0
    1.9303    3.0217    4.0539 C   0  0  0  0  0
    3.0732    3.4046    4.9715 C   0  0  0  0  0
    2.7129    4.0694    6.2997 C   0  0  0  0  0
    3.2198    2.6632    6.2993 C   0  0  0  0  0
    4.3127    3.8812    4.2561 C   0  0  0  0  0
    4.5162    5.2019    4.4795 F   0  0  0  0  0
    5.4162    3.2193    4.6767 F   0  0  0  0  0
    4.2268    3.7124    2.9129 F   0  0  0  0  0
    2.8060   -0.8594   -1.7081 C   0  0  0  0  0
    3.0286   -2.2475   -1.7354 C   0  0  0  0  0
    3.4365   -2.9054   -2.9051 C   0  0  0  0  0
    3.6116   -2.1864   -4.0913 C   0  0  0  0  0
    3.3912   -0.8056   -4.0854 C   0  0  0  0  0
    2.9965   -0.1543   -2.9108 C   0  0  0  0  0
    3.9900   -2.8331   -5.3018 N   0  0  0  0  0
    4.2650   -4.1705   -5.5050 C   0  0  0  0  0
    4.5576   -4.3289   -6.8388 C   0  0  0  0  0
    4.4433   -3.0411   -7.3774 C   0  0  0  0  0
    4.1082   -2.1320   -6.4624 N   0  0  0  0  0
    2.6595    1.2454   -0.5211 O   0  0  0  0  0
    0.3231    0.1462   -1.3614 H   0  0  0  0  0
    0.3184    0.3571    0.3736 H   0  0  0  0  0
    0.4125   -1.2811   -0.3155 H   0  0  0  0  0
    4.0072   -0.6052    0.8230 H   0  0  0  0  0
    2.6950   -1.7739    0.9749 H   0  0  0  0  0
    0.9145    0.2689    4.8664 H   0  0  0  0  0
    3.1042    1.9445    1.6930 H   0  0  0  0  0
    0.9779    3.1181    4.5925 H   0  0  0  0  0
    1.8593    3.7445    3.2311 H   0  0  0  0  0
    1.6681    4.2302    6.5437 H   0  0  0  0  0
    3.3677    4.8424    6.6916 H   0  0  0  0  0
    4.2176    2.4821    6.6863 H   0  0  0  0  0
    2.5194    1.8696    6.5363 H   0  0  0  0  0
    2.8715   -2.8593   -0.8491 H   0  0  0  0  0
    3.5884   -3.9788   -2.8522 H   0  0  0  0  0
    3.5170   -0.2155   -4.9923 H   0  0  0  0  0
    2.8332    0.9197   -2.9613 H   0  0  0  0  0
    4.2327   -4.8924   -4.7044 H   0  0  0  0  0
    4.8171   -5.2464   -7.3472 H   0  0  0  0  0
    4.5911   -2.7229   -8.4012 H   0  0  0  0  0
    1.9787    1.6965   -1.0498 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 28  1  0  0  0
  2 17  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 16  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
 26 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1671874

>  <PubChem CID>
25026044

>  <Formula>
C20H21F3N4O

>  <Molecular Weight>
390.410000

>  <IUPAC Name>
2-(4-pyrazol-1-ylphenyl)-1-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CC1=NC=C(N1)CC2(CC2)C(F)(F)F)(C3=CC=C(C=C3)N4C=CC=N4)O

>  <Isomeric SMILES>
CC(CC1=NC=C(N1)CC2(CC2)C(F)(F)F)(C3=CC=C(C=C3)N4C=CC=N4)O

>  <InChI Std. ID>
InChI=1S/C20H21F3N4O/c1-18(28,14-3-5-16(6-4-14)27-10-2-9-25-27)12-17-24-13-15(26-17)11-19(7-8-19)20(21,22)23/h2-6,9-10,13,28H,7-8,11-12H2,1H3,(H,24,26)

>  <InChI Key>
CTSDNKLOMIVPNV-UHFFFAOYSA-N

