
 CHEMBL384457

 52 55  0  0  0  0  0  0  0  0999 V2000
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    4.2775    3.6337    5.8696 Cl  0  0  0  0  0
    1.7668    4.5404    1.4992 N   0  0  0  0  0
    0.1188    4.2603    1.7942 S   0  0  0  0  0
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    3.3601    0.9165   -3.6970 H   0  0  0  0  0
    4.3839    0.2057   -2.4370 H   0  0  0  0  0
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    1.0478    8.8557    3.3641 H   0  0  0  0  0
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    1.4977   -1.3704    1.8810 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL384457

>  <PubChem CID>
16090695

>  <Formula>
C21H21ClN4O4S

>  <Molecular Weight>
460.933000

>  <IUPAC Name>
N-[5-chloro-2-[(3S,5S)-3,5-dimethylmorpholine-4-carbonyl]phenyl]quinoxaline-5-sulfonamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1COCC(N1C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NC=CN=C43)C

>  <Isomeric SMILES>
C[C@H]1COC[C@@H](N1C(=O)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC4=NC=CN=C43)C

>  <InChI Std. ID>
InChI=1S/C21H21ClN4O4S/c1-13-11-30-12-14(2)26(13)21(27)16-7-6-15(22)10-18(16)25-31(28,29)19-5-3-4-17-20(19)24-9-8-23-17/h3-10,13-14,25H,11-12H2,1-2H3/t13-,14-/m0/s1

>  <InChI Key>
DBWWPNLQGRPLIF-KBPBESRZSA-N

