
 CHEMBL2398764

 71 74  0  0  0  0  0  0  0  0999 V2000
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    5.1170    1.0316    0.8159 H   0  0  0  0  0
    7.2092    0.7255    0.2384 H   0  0  0  0  0
    9.3619    1.9093    0.4303 H   0  0  0  0  0
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    3.6773    5.8618   -0.1817 H   0  0  0  0  0
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 38 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2398764

>  <PubChem CID>
57889484

>  <Formula>
C30H33ClN4O3

>  <Molecular Weight>
533.069000

>  <IUPAC Name>
3-[2-(carbamoylamino)phenyl]-N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4NC(=O)N

>  <Isomeric SMILES>
CC(C)[C@H](C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4NC(=O)N

>  <InChI Std. ID>
InChI=1S/C30H33ClN4O3/c1-19(2)27(29(37)35-16-14-21(15-17-35)20-10-12-24(31)13-11-20)34-28(36)23-7-5-6-22(18-23)25-8-3-4-9-26(25)33-30(32)38/h3-13,18-19,21,27H,14-17H2,1-2H3,(H,34,36)(H3,32,33,38)/t27-/m1/s1

>  <InChI Key>
BGQANBMREYYRKA-HHHXNRCGSA-N

