
 CHEMBL474302

 61 65  0  0  0  0  0  0  0  0999 V2000
    5.6595    2.6437    0.2911 C   0  0  0  0  0
    4.9752    1.3114    0.0923 C   0  0  0  0  0
    3.6819    1.3490   -0.4667 C   0  0  0  0  0
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    8.4028    0.8158    2.9044 C   0  0  0  0  0
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   11.1229   -0.9868    3.6924 F   0  0  0  0  0
   11.8457    0.2777    2.0776 F   0  0  0  0  0
   11.0025    1.1776    3.8648 F   0  0  0  0  0
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    5.8076   -2.7642    1.5536 O   0  0  0  0  0
    5.1862   -3.3500   -0.6241 N   0  0  0  0  0
    5.4962   -4.7243   -0.6990 C   0  0  0  0  0
    5.0827   -5.4034   -1.8577 C   0  0  0  0  0
    5.3832   -6.7497   -1.9930 C   0  0  0  0  0
    6.0949   -7.4272   -1.0024 C   0  0  0  0  0
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    5.0218   -7.6798   -3.1154 C   0  0  0  0  0
    7.2802   -8.4773   -3.6722 N   0  0  0  0  0
    8.3831   -9.3368   -3.6698 C   0  0  0  0  0
    9.6514   -8.7925   -3.9241 C   0  0  0  0  0
   10.7949   -9.5944   -3.9597 C   0  0  0  0  0
   10.6830  -10.9675   -3.7757 C   0  0  0  0  0
    9.4269  -11.5350   -3.5795 C   0  0  0  0  0
    8.2854  -10.7260   -3.5442 C   0  0  0  0  0
    6.4904   -6.7820    0.1553 C   0  0  0  0  0
    6.1870   -5.4227    0.3034 C   0  0  0  0  0
    5.4759    3.0147    1.3042 H   0  0  0  0  0
    5.2736    3.3894   -0.4140 H   0  0  0  0  0
    6.7360    2.5791    0.1067 H   0  0  0  0  0
    3.2265    2.3032   -0.7266 H   0  0  0  0  0
    1.9606    0.2315   -1.1098 H   0  0  0  0  0
    2.9446   -1.9424   -0.5222 H   0  0  0  0  0
    6.3217    1.3121    2.7825 H   0  0  0  0  0
    8.5416    1.4118    3.8043 H   0  0  0  0  0
   10.0549   -1.2429    0.7648 H   0  0  0  0  0
    7.8556   -1.2719   -0.3121 H   0  0  0  0  0
    4.7786   -2.9571   -1.4634 H   0  0  0  0  0
    4.5304   -4.8970   -2.6432 H   0  0  0  0  0
    7.3144   -9.2046   -1.1204 H   0  0  0  0  0
    5.5628   -9.4871   -0.8879 H   0  0  0  0  0
    5.6446   -9.7641   -3.2928 H   0  0  0  0  0
    5.1061   -7.2005   -4.0951 H   0  0  0  0  0
    4.0014   -8.0491   -2.9660 H   0  0  0  0  0
    7.5715   -7.5186   -3.4809 H   0  0  0  0  0
    9.7613   -7.7223   -4.0843 H   0  0  0  0  0
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   11.5689  -11.5950   -3.8001 H   0  0  0  0  0
    9.3305  -12.6109   -3.4606 H   0  0  0  0  0
    7.3227  -11.2090   -3.4155 H   0  0  0  0  0
    7.0359   -7.3074    0.9330 H   0  0  0  0  0
    6.5177   -4.9239    1.2098 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  2  0  0  0
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 31 32  2  0  0  0
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 35 60  1  0  0  0
 36 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL474302

>  <PubChem CID>
44591347

>  <Formula>
C30H25F3N2O

>  <Molecular Weight>
486.538000

>  <IUPAC Name>
N-[(2S)-2-anilino-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CC(C4)NC5=CC=CC=C5)C=C3

>  <Isomeric SMILES>
CC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C[C@@H](C4)NC5=CC=CC=C5)C=C3

>  <InChI Std. ID>
InChI=1S/C30H25F3N2O/c1-19-6-5-9-27(28(19)20-10-13-23(14-11-20)30(31,32)33)29(36)35-25-15-12-21-16-26(18-22(21)17-25)34-24-7-3-2-4-8-24/h2-15,17,26,34H,16,18H2,1H3,(H,35,36)/t26-/m0/s1

>  <InChI Key>
BJLHXLVEGNRDCK-SANMLTNESA-N

