
 CHEMBL234606

 67 69  0  0  0  0  0  0  0  0999 V2000
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    7.0855    2.0545   -1.1795 H   0  0  0  0  0
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    3.3785    5.2126   -2.1539 H   0  0  0  0  0
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  1  2  1  0  0  0
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 34 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL234606

>  <PubChem CID>
44431523

>  <Formula>
C26H33FN4O3

>  <Molecular Weight>
468.573000

>  <IUPAC Name>
N-[(2S,3S,5R)-5-(aminomethyl)-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)CN)O

>  <Isomeric SMILES>
CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)CN)O

>  <InChI Std. ID>
InChI=1S/C26H33FN4O3/c1-26(2,34)11-10-18(15-28)14-24(32)22(13-17-6-5-7-19(27)12-17)31-25(33)23-16-29-20-8-3-4-9-21(20)30-23/h3-9,12,16,18,22,24,32,34H,10-11,13-15,28H2,1-2H3,(H,31,33)/t18-,22+,24+/m1/s1

>  <InChI Key>
CDMIHUXRKUKJQL-OUOWLKGYSA-N

