General Information of the Compound
| Compound ID |
CP0427590
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| Compound Name |
(R)-3-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenylamino)-4-(propylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C27H30ClFN4O4
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| Molecular Weight |
529.012
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| Canonical SMILES |
CCCNc1c(Nc2cc(Cl)ccc2OCC(=O)N2CCN(Cc3ccc(F)cc3)C[C@H]2C)c(=O)c1=O
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| InChI |
InChI=1S/C27H30ClFN4O4/c1-3-10-30-24-25(27(36)26(24)35)31-21-13-19(28)6-9-22(21)37-16-23(34)33-12-11-32(14-17(33)2)15-18-4-7-20(29)8-5-18/h4-9,13,17,30-31H,3,10-12,14-16H2,1-2H3/t17-/m1/s1
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| InChIKey |
VUYWUZPXEINGGH-QGZVFWFLSA-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