
 CHEMBL1085397

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M  END

>  <Chemical Name>
CHEMBL1085397

>  <PubChem CID>
11618861

>  <Formula>
C26H27ClN4

>  <Molecular Weight>
430.980000

>  <IUPAC Name>
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

>  <XlogP>
6.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=C(N(N=C4C5=CC=CC=C5)C)Cl

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=C(N(N=C4C5=CC=CC=C5)C)Cl

>  <InChI Std. ID>
InChI=1S/C26H27ClN4/c1-18-7-6-15-31(18)16-14-19-10-12-22-21(17-19)11-13-23(28-22)24-25(29-30(2)26(24)27)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1

>  <InChI Key>
BHVLKNXTDWOMMA-GOSISDBHSA-N

