
 CHEMBL521737

 79 83  0  0  0  0  0  0  0  0999 V2000
    6.9718    0.0954   -0.1751 C   0  0  0  0  0
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    3.1554    2.4975    1.4272 H   0  0  0  0  0
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    0.0057    6.0779   -1.2264 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL521737

>  <PubChem CID>
25212472

>  <Formula>
C28H43N5O3

>  <Molecular Weight>
497.684000

>  <IUPAC Name>
[1-[1-[4-(cycloheptylamino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCC(C4)CO)NC5CCCCCC5)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)N4CCCC(C4)CO)NC5CCCCCC5)OC

>  <InChI Std. ID>
InChI=1S/C28H43N5O3/c1-35-25-16-23-24(17-26(25)36-2)30-28(31-27(23)29-21-9-5-3-4-6-10-21)32-14-11-22(12-15-32)33-13-7-8-20(18-33)19-34/h16-17,20-22,34H,3-15,18-19H2,1-2H3,(H,29,30,31)

>  <InChI Key>
VQVJOORGRHBCAX-UHFFFAOYSA-N

