
 CHEMBL1203228

172178  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1203228

>  <PubChem CID>
49860764

>  <Formula>
C62H89ClN14O6

>  <Molecular Weight>
1161.936000

>  <IUPAC Name>
[2-[[6-[6-[6-[[2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]methylamino]hexylamino]hexylamino]hexylamino]methyl]phenyl]-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4CNCCCCCCNCCCCCCNCCCCCCNCC5=CC=CC=C5C(=O)N6CCN(CC6)C7=NC8=CC(=C(C=C8C(=N7)N)OC)OC)N)OC.Cl

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4CNCCCCCCNCCCCCCNCCCCCCNCC5=CC=CC=C5C(=O)N6CCN(CC6)C7=NC8=CC(=C(C=C8C(=N7)N)OC)OC)N)OC.Cl

>  <InChI Std. ID>
InChI=1S/C62H88N14O6.ClH/c1-79-53-39-49-51(41-55(53)81-3)69-61(71-57(49)63)75-35-31-73(32-36-75)59(77)47-23-13-11-21-45(47)43-67-29-19-9-7-17-27-65-25-15-5-6-16-26-66-28-18-8-10-20-30-68-44-46-22-12-14-24-48(46)60(78)74-33-37-76(38-34-74)62-70-52-42-56(82-4)54(80-2)40-50(52)58(64)72-62;/h11-14,21-24,39-42,65-68H,5-10,15-20,25-38,43-44H2,1-4H3,(H2,63,69,71)(H2,64,70,72);1H

>  <InChI Key>
FSPJHGIIYAKTOP-UHFFFAOYSA-N

