
 CHEMBL3943310

 60 63  0  0  0  0  0  0  0  0999 V2000
   -0.9530    9.6639   -1.1952 C   0  0  0  0  0
    0.2181   10.5994   -0.8714 C   0  0  0  0  0
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    3.4219    7.5739   -2.8493 C   0  0  0  0  0
    4.0186    6.2327   -2.4425 C   0  0  0  0  0
    3.3258    5.5546   -1.2460 C   0  0  0  0  0
    2.9681    6.5277   -0.1007 C   0  0  0  0  0
    3.3884    7.9665   -0.3944 C   0  0  0  0  0
    2.1983    4.6612   -1.6359 N   0  0  0  0  0
    2.3559    3.2417   -1.3915 C   0  0  0  0  0
    3.1502    2.6378   -0.2566 C   0  0  0  0  0
    1.6565    2.6026   -0.2166 C   0  0  0  0  0
    1.0013    5.2379   -2.1050 C   0  0  0  0  0
    0.7985    6.4518   -2.0724 O   0  0  0  0  0
   -0.1177    4.4355   -2.6753 C   0  0  0  0  0
   -1.4200    4.9172   -2.4636 C   0  0  0  0  0
   -2.5184    4.3352   -3.1027 C   0  0  0  0  0
   -2.3321    3.2557   -3.9771 C   0  0  0  0  0
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   -3.4713    1.7237   -5.6276 C   0  0  0  0  0
   -4.7791    1.5435   -6.0068 C   0  0  0  0  0
   -5.4999    2.4563   -5.2266 C   0  0  0  0  0
   -4.7151    3.1633   -4.4145 N   0  0  0  0  0
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   -1.9150   10.1800   -1.1085 H   0  0  0  0  0
    0.2015   11.4957   -2.8747 H   0  0  0  0  0
    1.2021   12.3564   -1.7084 H   0  0  0  0  0
   -0.5724   12.4818   -1.6477 H   0  0  0  0  0
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   -0.8860   11.6923    0.6772 H   0  0  0  0  0
    0.8818   11.7881    0.8306 H   0  0  0  0  0
    4.1754    8.1637   -3.3848 H   0  0  0  0  0
    2.5982    7.4152   -3.5536 H   0  0  0  0  0
    4.0613    5.5604   -3.3077 H   0  0  0  0  0
    5.0637    6.4167   -2.1543 H   0  0  0  0  0
    4.1058    4.8966   -0.8477 H   0  0  0  0  0
    1.8971    6.4994    0.1298 H   0  0  0  0  0
    3.4650    6.1966    0.8207 H   0  0  0  0  0
    2.9885    8.6300    0.3785 H   0  0  0  0  0
    4.4803    8.0578   -0.3528 H   0  0  0  0  0
    2.4533    2.6719   -2.3103 H   0  0  0  0  0
    3.6513    3.2652    0.4690 H   0  0  0  0  0
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   -6.5667    2.6401   -5.2164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
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 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3943310

>  <PubChem CID>
89995530

>  <Formula>
C23H30N4O3

>  <Molecular Weight>
410.518000

>  <IUPAC Name>
tert-butyl 4-[cyclopropyl-(4-pyrazol-1-ylbenzoyl)amino]piperidine-1-carboxylate

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)N(C2CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

>  <InChI Std. ID>
InChI=1S/C23H30N4O3/c1-23(2,3)30-22(29)25-15-11-20(12-16-25)27(19-9-10-19)21(28)17-5-7-18(8-6-17)26-14-4-13-24-26/h4-8,13-14,19-20H,9-12,15-16H2,1-3H3

>  <InChI Key>
AGWBUDKPWBERJM-UHFFFAOYSA-N

