
 CHEMBL2179689

 64 65  0  0  0  0  0  0  0  0999 V2000
    3.0309    0.1857    2.9399 C   0  0  0  0  0
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    1.9748   -0.0797    3.0516 H   0  0  0  0  0
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    3.6318   -0.6712    3.2598 H   0  0  0  0  0
    2.6188    1.3099    1.1630 H   0  0  0  0  0
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    6.3413    3.1560   -3.6001 H   0  0  0  0  0
    4.9216    2.9081   -2.6036 H   0  0  0  0  0
    5.4227    5.2074   -2.3706 H   0  0  0  0  0
    6.1507    5.3993    0.0773 H   0  0  0  0  0
    4.8080    4.3327   -0.2638 H   0  0  0  0  0
    7.7098    3.5028    0.2345 H   0  0  0  0  0
    6.3868    3.2870    1.3291 H   0  0  0  0  0
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    9.8540   11.4547    0.6671 H   0  0  0  0  0
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    0.0185    2.2786    2.3451 H   0  0  0  0  0
    0.1114    2.4042   -1.7171 H   0  0  0  0  0
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  5  6  1  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2179689

>  <PubChem CID>
71462663

>  <Formula>
C22H32N4O6

>  <Molecular Weight>
448.520000

>  <IUPAC Name>
N-[(1-butylpiperidin-4-yl)methyl]-5-methoxy-1-methylindazole-3-carboxamide;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCN1CCC(CC1)CNC(=O)C2=NN(C3=C2C=C(C=C3)OC)C.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CCCCN1CCC(CC1)CNC(=O)C2=NN(C3=C2C=C(C=C3)OC)C.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C20H30N4O2.C2H2O4/c1-4-5-10-24-11-8-15(9-12-24)14-21-20(25)19-17-13-16(26-3)6-7-18(17)23(2)22-19;3-1(4)2(5)6/h6-7,13,15H,4-5,8-12,14H2,1-3H3,(H,21,25);(H,3,4)(H,5,6)

>  <InChI Key>
AJARVXYYDRRYKK-UHFFFAOYSA-N

