
 CHEMBL1082189

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M  END

>  <Chemical Name>
CHEMBL1082189

>  <PubChem CID>
46880813

>  <Formula>
C26H26N4O3

>  <Molecular Weight>
442.519000

>  <IUPAC Name>
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=O)C4=CC=C(C=C4)C5=C(ON=C5C)C

>  <Isomeric SMILES>
C[C@H]1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=O)C4=CC=C(C=C4)C5=C(ON=C5C)C

>  <InChI Std. ID>
InChI=1S/C26H26N4O3/c1-16-15-29(12-13-30(16)26(32)22-9-4-19-10-11-27-23(19)14-22)25(31)21-7-5-20(6-8-21)24-17(2)28-33-18(24)3/h4-11,14,16,27H,12-13,15H2,1-3H3/t16-/m0/s1

>  <InChI Key>
MCYVQVBLGCFWKE-INIZCTEOSA-N

