General Information of the Compound
| Compound ID |
CP0562592
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| Compound Name |
3-(2-(2-(4-(4-chlorobenzyl)piperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C24H24Cl2N4O4
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| Molecular Weight |
503.386
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| Canonical SMILES |
CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)c1=O
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| InChI |
InChI=1S/C24H24Cl2N4O4/c1-27-21-22(24(33)23(21)32)28-18-12-17(26)6-7-19(18)34-14-20(31)30-10-8-29(9-11-30)13-15-2-4-16(25)5-3-15/h2-7,12,27-28H,8-11,13-14H2,1H3
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| InChIKey |
XCIQTOHNVSUVGY-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