General Information of the Compound
| Compound ID |
CP0471390
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| Compound Name |
3-(2-bromophenylamino)-4-(4-chloro-2-hydroxy-3-(pyrrolidine-1-carbonyl)phenylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C21H17BrClN3O4
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| Molecular Weight |
490.741
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| Canonical SMILES |
Oc1c(Nc2c(Nc3ccccc3Br)c(=O)c2=O)ccc(Cl)c1C(=O)N1CCCC1
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| InChI |
InChI=1S/C21H17BrClN3O4/c22-11-5-1-2-6-13(11)24-16-17(20(29)19(16)28)25-14-8-7-12(23)15(18(14)27)21(30)26-9-3-4-10-26/h1-2,5-8,24-25,27H,3-4,9-10H2
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| InChIKey |
DVCYLRLVVFYVSR-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