
 CHEMBL205397

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL205397

>  <PubChem CID>
10238912

>  <Formula>
C26H28ClFN4O2

>  <Molecular Weight>
482.984000

>  <IUPAC Name>
3-(3-chloro-4-fluorophenyl)-1-[(1S,4R,5S)-1-(3-cyanophenyl)-4-bicyclo[3.1.0]hexanyl]-1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]urea

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2(CC2C1N(CCN3CCC(C3)O)C(=O)NC4=CC(=C(C=C4)F)Cl)C5=CC=CC(=C5)C#N

>  <Isomeric SMILES>
C1C[C@@]2(C[C@@H]2[C@@H]1N(CCN3CC[C@H](C3)O)C(=O)NC4=CC(=C(C=C4)F)Cl)C5=CC=CC(=C5)C#N

>  <InChI Std. ID>
InChI=1S/C26H28ClFN4O2/c27-22-13-19(4-5-23(22)28)30-25(34)32(11-10-31-9-7-20(33)16-31)24-6-8-26(14-21(24)26)18-3-1-2-17(12-18)15-29/h1-5,12-13,20-21,24,33H,6-11,14,16H2,(H,30,34)/t20-,21-,24-,26-/m1/s1

>  <InChI Key>
OSEWYJWQLIPRDD-LXRCUPKFSA-N

