General Information of the Compound
| Compound ID |
CP0579682
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| Compound Name |
4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-N-(4-nitrophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H21N5O5
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| Molecular Weight |
435.44
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| Canonical SMILES |
Cc1ccccc1Nc1c(N2CCN(CC2)C(=O)Nc2ccc(cc2)[N+]([O-])=O)c(=O)c1=O
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| InChI |
InChI=1S/C22H21N5O5/c1-14-4-2-3-5-17(14)24-18-19(21(29)20(18)28)25-10-12-26(13-11-25)22(30)23-15-6-8-16(9-7-15)27(31)32/h2-9,24H,10-13H2,1H3,(H,23,30)
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| InChIKey |
QJMZGMQNXMWHQG-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