
 CHEMBL459463

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL459463

>  <PubChem CID>
44561332

>  <Formula>
C27H41N5O2

>  <Molecular Weight>
467.658000

>  <IUPAC Name>
N-cycloheptyl-2-(4-cyclohexylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4CCCCC4)NC5CCCCCC5)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4CCCCC4)NC5CCCCCC5)OC

>  <InChI Std. ID>
InChI=1S/C27H41N5O2/c1-33-24-18-22-23(19-25(24)34-2)29-27(30-26(22)28-20-10-6-3-4-7-11-20)32-16-14-31(15-17-32)21-12-8-5-9-13-21/h18-21H,3-17H2,1-2H3,(H,28,29,30)

>  <InChI Key>
ISQMRAVNYHYMRP-UHFFFAOYSA-N

