
 CHEMBL3325804

 82 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3325804

>  <PubChem CID>
66576530

>  <Formula>
C34H36ClN7O4

>  <Molecular Weight>
642.157000

>  <IUPAC Name>
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)Cl)CC(=O)N5CCN(CC5)CC6=NOC(=C6)C)C

>  <Isomeric SMILES>
CCCC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C3=CN(C4=C3C=C(C=C4)Cl)CC(=O)N5CCN(CC5)CC6=NOC(=C6)C)C

>  <InChI Std. ID>
InChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)

>  <InChI Key>
BFYCPGWDAOWTSD-UHFFFAOYSA-N

