General Information of the Compound
| Compound ID |
CP0276881
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| Compound Name |
2-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]-5-[2-(N-methylanilino)ethoxy]cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C31H35N5O5
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| Molecular Weight |
557.651
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| Canonical SMILES |
COc1cc2c(NC3=CC(=O)C(OCCN(C)c4ccccc4)=CC3=O)ncnc2cc1OCC1CCN(C)CC1
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| InChI |
InChI=1S/C31H35N5O5/c1-35-11-9-21(10-12-35)19-41-30-17-24-23(15-29(30)39-3)31(33-20-32-24)34-25-16-27(38)28(18-26(25)37)40-14-13-36(2)22-7-5-4-6-8-22/h4-8,15-18,20-21H,9-14,19H2,1-3H3,(H,32,33,34)
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| InChIKey |
MUKKZDFFRCURFS-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