
 CHEMBL3104636

 75 79  0  0  0  0  0  0  0  0999 V2000
    0.3605    0.1122   -0.4078 C   0  0  0  0  0
    1.8999    0.2225   -0.4806 C   0  0  0  0  0
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    3.7715    1.6301    0.6676 N   0  0  0  0  0
    4.4369    2.3612   -0.4204 C   0  0  0  0  0
    4.0063    3.8257   -0.5421 C   0  0  0  0  0
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    3.5712    3.7938    1.9454 C   0  0  0  0  0
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    5.9897    6.2154    0.4096 N   0  0  0  0  0
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    6.5642    8.6130   -2.9012 C   0  0  0  0  0
    9.0364   11.3817   -2.9495 O   0  0  0  0  0
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    9.1029   13.4967   -2.1888 F   0  0  0  0  0
    7.5511   12.9575   -3.6377 F   0  0  0  0  0
    7.4241   12.2514   -1.5550 F   0  0  0  0  0
   -0.1167    1.0362   -0.7525 H   0  0  0  0  0
    0.0219   -0.0793    0.6161 H   0  0  0  0  0
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    3.6039   -1.0827   -0.0419 H   0  0  0  0  0
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    1.7093   -0.2195   -2.6129 H   0  0  0  0  0
    3.3305    0.2349   -2.1426 H   0  0  0  0  0
    1.8924    1.1511    1.4428 H   0  0  0  0  0
    1.8190    2.3125    0.1492 H   0  0  0  0  0
    4.3021    1.8697   -1.3835 H   0  0  0  0  0
    5.5191    2.3066   -0.2526 H   0  0  0  0  0
    4.5776    4.3014   -1.3493 H   0  0  0  0  0
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    3.8272    4.2531    2.9085 H   0  0  0  0  0
    2.4765    3.8255    1.8863 H   0  0  0  0  0
    5.1009    2.2812    2.1631 H   0  0  0  0  0
    3.5453    1.7944    2.7727 H   0  0  0  0  0
    6.3614    4.1191    0.6647 H   0  0  0  0  0
    5.8842    4.9814    2.1265 H   0  0  0  0  0
    5.3106    8.9119    0.0370 H   0  0  0  0  0
    2.9713    9.7445    0.0984 H   0  0  0  0  0
    1.0916    8.1761    0.4898 H   0  0  0  0  0
    1.5254    5.7551    0.8193 H   0  0  0  0  0
    6.5888    8.1121    2.2116 H   0  0  0  0  0
    8.8345    8.7595    2.9689 H   0  0  0  0  0
   10.8422    7.6637    2.0082 H   0  0  0  0  0
   10.6003    6.0052    0.2003 H   0  0  0  0  0
    9.0228    4.4471   -0.9141 H   0  0  0  0  0
    5.9429    6.1062   -2.8157 H   0  0  0  0  0
    9.5153    6.9787   -2.5003 H   0  0  0  0  0
   10.3697    9.2570   -2.6958 H   0  0  0  0  0
    6.3469   10.7220   -3.2121 H   0  0  0  0  0
    5.4911    8.4463   -2.9625 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3104636

>  <PubChem CID>
53350233

>  <Formula>
C31H35F3N4O2

>  <Molecular Weight>
552.642000

>  <IUPAC Name>
1-[2-[1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=CC=CC=C23)C4=CC=CC=C4NC(=O)NC5=CC=C(C=C5)OC(F)(F)F

>  <Isomeric SMILES>
CC(C)(C)CN1CCC2(CC1)CN(C3=CC=CC=C23)C4=CC=CC=C4NC(=O)NC5=CC=C(C=C5)OC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)

>  <InChI Key>
FDCUCZZKNTVJSB-UHFFFAOYSA-N

