
 CHEMBL247455

 84 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL247455

>  <PubChem CID>
44442590

>  <Formula>
C30H41F3N6O4

>  <Molecular Weight>
606.691000

>  <IUPAC Name>
N-[2-[[(2S)-1-(tert-butylamino)-3-[(2,4-dimethylphenyl)methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=C(C=C1)CNCC(C(=O)NC(C)(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC(=O)NC(C)C)C

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

>  <InChI Std. ID>
InChI=1S/C30H41F3N6O4/c1-17(2)36-28(43)38-23-11-10-21(30(31,32)33)13-22(23)26(41)35-16-25(40)37-24(27(42)39-29(5,6)7)15-34-14-20-9-8-18(3)12-19(20)4/h8-13,17,24,34H,14-16H2,1-7H3,(H,35,41)(H,37,40)(H,39,42)(H2,36,38,43)/t24-/m0/s1

>  <InChI Key>
AWJUKDQERXTXHY-DEOSSOPVSA-N

