
 CHEMBL1801094

 89 93  0  0  0  0  0  0  0  0999 V2000
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    3.4322    4.8324    0.1753 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1801094

>  <PubChem CID>
56659465

>  <Formula>
C35H46ClF2N3O2

>  <Molecular Weight>
614.219000

>  <IUPAC Name>
2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N,2-trimethylpropanamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C2C(=C1)C(CC23CCN(CC3)C(=O)C4CN(CC4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)(C)C(=O)N(C)C)Cl

>  <Isomeric SMILES>
CC1=C(C=C2C(=C1)[C@@H](CC23CCN(CC3)C(=O)[C@@H]4CN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)(C)C(=O)N(C)C)Cl

>  <InChI Std. ID>
InChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28+/m0/s1

>  <InChI Key>
ACNLYDWIFLWOSO-ZRRKCSAHSA-N

