
 CHEMBL332793

 66 68  0  0  0  0  0  0  0  0999 V2000
    0.1271    0.4831    0.7808 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL332793

>  <PubChem CID>
10232846

>  <Formula>
C27H25Cl2F6N3O3

>  <Molecular Weight>
624.405000

>  <IUPAC Name>
N-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3S)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN(C(CC1=CC(=C(C=C1)Cl)Cl)C=CC(=O)NC2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CN([C@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C(=O)N[C@H]2CCCCNC2=O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22-/m0/s1

>  <InChI Key>
BHCJHYIMNHXLOM-UDNXBLAOSA-N

