General Information of the Compound
| Compound ID |
CP0058676
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| Compound Name |
2-(4-benzylpiperazin-1-yl)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(=CC3=O)N3CCN(Cc4ccccc4)CC3)c2cc1OC
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| InChI |
InChI=1S/C29H31N5O5/c1-37-12-13-39-28-16-22-21(14-27(28)38-2)29(31-19-30-22)32-23-15-26(36)24(17-25(23)35)34-10-8-33(9-11-34)18-20-6-4-3-5-7-20/h3-7,14-17,19H,8-13,18H2,1-2H3,(H,30,31,32)
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| InChIKey |
ZAGFZSSYVPPYHQ-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