
 CHEMBL3706810

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3706810

>  <PubChem CID>
11397114

>  <Formula>
C27H34FN5O

>  <Molecular Weight>
463.601000

>  <IUPAC Name>
1-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(1H-indazol-6-yl)urea

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C(C1)CN2CCCC(C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC5=C(C=C4)C=NN5

>  <Isomeric SMILES>
C1CC[C@H]([C@@H](C1)CN2CCC[C@H](C2)CC3=CC=C(C=C3)F)NC(=O)NC4=CC5=C(C=C4)C=NN5

>  <InChI Std. ID>
InChI=1S/C27H34FN5O/c28-23-10-7-19(8-11-23)14-20-4-3-13-33(17-20)18-22-5-1-2-6-25(22)31-27(34)30-24-12-9-21-16-29-32-26(21)15-24/h7-12,15-16,20,22,25H,1-6,13-14,17-18H2,(H,29,32)(H2,30,31,34)/t20-,22-,25+/m0/s1

>  <InChI Key>
ASOLNTMGQZACMS-UWDQQESISA-N

