
 CHEMBL2179703

 59 61  0  0  0  0  0  0  0  0999 V2000
    2.3157    1.2663    0.5892 C   0  0  0  0  0
    1.3713    2.1599   -0.2193 C   0  0  0  0  0
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    3.1867    3.7649   -0.5174 N   0  0  0  0  0
    4.8544    5.3277   -1.4517 C   0  0  0  0  0
    5.3994    5.8336   -2.4292 O   0  0  0  0  0
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    6.5418   10.5145    1.0596 N   0  0  0  0  0
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    5.2831    8.3301    0.9456 C   0  0  0  0  0
    7.0140   10.3937    2.4547 C   0  0  0  0  0
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    8.0690   10.4009    5.0282 O   0  0  0  0  0
    9.8910   11.6827    4.4801 N   0  0  0  0  0
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    2.8292    1.8273    1.3776 H   0  0  0  0  0
    0.8614    1.5118   -0.9432 H   0  0  0  0  0
    0.7792    3.4609    1.4261 H   0  0  0  0  0
   -0.2566    2.0369    1.2117 H   0  0  0  0  0
   -0.3850    3.4048    0.0965 H   0  0  0  0  0
   -0.2086    2.7019   -2.7495 H   0  0  0  0  0
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    3.4156    5.8167   -4.2174 H   0  0  0  0  0
    4.8009    4.9937    0.5596 H   0  0  0  0  0
    7.3146    5.8875   -0.5063 H   0  0  0  0  0
    6.7879    6.0086    1.1802 H   0  0  0  0  0
    5.9448    7.9523   -1.0532 H   0  0  0  0  0
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    9.1171   10.8617    2.1330 H   0  0  0  0  0
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  1 30  1  0  0  0
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  2  3  1  0  0  0
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  3 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2179703

>  <PubChem CID>
71457299

>  <Formula>
C21H31N5O2

>  <Molecular Weight>
385.512000

>  <IUPAC Name>
N-[[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCC(=O)NC

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CCC(=O)NC

>  <InChI Std. ID>
InChI=1S/C21H31N5O2/c1-15(2)26-18-7-5-4-6-17(18)20(24-26)21(28)23-14-16-8-11-25(12-9-16)13-10-19(27)22-3/h4-7,15-16H,8-14H2,1-3H3,(H,22,27)(H,23,28)

>  <InChI Key>
DCTPSCJKONJAFA-UHFFFAOYSA-N

