
 SCHEMBL3033160

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3033160

>  <PubChem CID>
25182922

>  <Formula>
C26H36N6O

>  <Molecular Weight>
448.615000

>  <IUPAC Name>
6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)N(CC2CC2)C3=NC=NC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCNCC5

>  <Isomeric SMILES>
C1CCC(CC1)N(CC2CC2)C3=NC=NC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCNCC5

>  <InChI Std. ID>
InChI=1S/C26H36N6O/c33-26(30-22-10-8-20(9-11-22)17-31-14-12-27-13-15-31)24-16-25(29-19-28-24)32(18-21-6-7-21)23-4-2-1-3-5-23/h8-11,16,19,21,23,27H,1-7,12-15,17-18H2,(H,30,33)

>  <InChI Key>
ADYQSHCYLPBPNP-UHFFFAOYSA-N

