General Information of the Compound
| Compound ID |
CP0456742
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| Compound Name |
(R)-3-(2-(2-(4-benzyl-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(methylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C25H27ClN4O4
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| Molecular Weight |
482.968
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| Canonical SMILES |
CNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c(=O)c1=O
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| InChI |
InChI=1S/C25H27ClN4O4/c1-16-13-29(14-17-6-4-3-5-7-17)10-11-30(16)21(31)15-34-20-9-8-18(26)12-19(20)28-23-22(27-2)24(32)25(23)33/h3-9,12,16,27-28H,10-11,13-15H2,1-2H3/t16-/m1/s1
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| InChIKey |
UJIWUWSJLOPHBI-MRXNPFEDSA-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