
 CHEMBL344211

 73 78  0  0  0  0  0  0  0  0999 V2000
    1.5619    0.7876    0.7702 C   0  0  0  0  0
    2.8851   -0.0020    0.6664 C   0  0  0  0  0
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    4.0401    1.3247   -1.2467 H   0  0  0  0  0
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    6.6378    3.0121    4.0284 H   0  0  0  0  0
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    9.0875    3.2245    3.6094 H   0  0  0  0  0
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    8.3960    6.7820    1.2760 H   0  0  0  0  0
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    9.0597    2.6855    1.1728 H   0  0  0  0  0
    7.7212    1.8952    1.9974 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL344211

>  <PubChem CID>
10838382

>  <Formula>
C28H38N4O3

>  <Molecular Weight>
478.637000

>  <IUPAC Name>
2-adamantyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(piperidin-1-ylamino)propan-2-yl]carbamate

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CC1=CNC2=CC=CC=C21)(C(=O)NN3CCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NN3CCCCC3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C28H38N4O3/c1-28(26(33)31-32-9-5-2-6-10-32,16-22-17-29-24-8-4-3-7-23(22)24)30-27(34)35-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,29H,2,5-6,9-16H2,1H3,(H,30,34)(H,31,33)/t18?,19?,20?,21?,25?,28-/m1/s1

>  <InChI Key>
BTMCPHTWKPVWOY-BHDXLSQSSA-N

