
 CHEMBL481192

 70 74  0  0  0  0  0  0  0  0999 V2000
    3.9517    1.6434   -1.3271 C   0  0  0  0  0
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    0.3085    3.7765   -5.8438 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL481192

>  <PubChem CID>
44570568

>  <Formula>
C28H34FN5OS

>  <Molecular Weight>
507.672000

>  <IUPAC Name>
[2-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CC(N1)C)CC2=CN=C(S2)C3=CC=CC=C3C(=O)N4CCC(CC4)NC5=CC=C(C=C5)F

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)CC2=CN=C(S2)C3=CC=CC=C3C(=O)N4CCC(CC4)NC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C28H34FN5OS/c1-19-16-33(17-20(2)31-19)18-24-15-30-27(36-24)25-5-3-4-6-26(25)28(35)34-13-11-23(12-14-34)32-22-9-7-21(29)8-10-22/h3-10,15,19-20,23,31-32H,11-14,16-18H2,1-2H3/t19-,20+

>  <InChI Key>
DJJRIEUTPKRVNX-BGYRXZFFSA-N

