General Information of the Compound
| Compound ID |
CP0344006
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| Compound Name |
2-(azepan-1-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C31H50N6O2
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| Molecular Weight |
538.781
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)N1CCCCCC1
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| InChI |
InChI=1S/C31H50N6O2/c1-24(2)36-19-12-25(13-20-36)32-30-26-22-28(38-3)29(39-21-11-16-35-14-7-6-8-15-35)23-27(26)33-31(34-30)37-17-9-4-5-10-18-37/h22-25H,4-21H2,1-3H3,(H,32,33,34)
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| InChIKey |
JCPFHRAFMALJIB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound