General Information of the Compound
| Compound ID |
CP0250096
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| Compound Name |
2-(4-Ethylpiperazin-1-yl)-5-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino}benzo-1,4-quinone
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| Structure |
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| Formula |
C24H29N5O5
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| Molecular Weight |
467.526
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| Canonical SMILES |
CCN1CCN(CC1)C1=CC(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O
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| InChI |
InChI=1S/C24H29N5O5/c1-4-28-5-7-29(8-6-28)19-14-20(30)18(12-21(19)31)27-24-16-11-22(33-3)23(34-10-9-32-2)13-17(16)25-15-26-24/h11-15H,4-10H2,1-3H3,(H,25,26,27)
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| InChIKey |
VZJKXXJUTFHHOB-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