General Information of the Compound
| Compound ID |
CP0423797
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| Compound Name |
1-[2-[2-[(6-amino-5-nitropyridin-2-yl)amino]ethylamino]-4-(2,4-dichlorophenyl)pyrimidin-5-yl]-4-methylpiperazin-2-one
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| Structure |
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| Formula |
C22H23Cl2N9O3
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| Molecular Weight |
532.392
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| Canonical SMILES |
CN1CCN(C(=O)C1)c1cnc(NCCNc2ccc(c(N)n2)[N+]([O-])=O)nc1-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H23Cl2N9O3/c1-31-8-9-32(19(34)12-31)17-11-28-22(30-20(17)14-3-2-13(23)10-15(14)24)27-7-6-26-18-5-4-16(33(35)36)21(25)29-18/h2-5,10-11H,6-9,12H2,1H3,(H3,25,26,29)(H,27,28,30)
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| InChIKey |
WVICCKVXWUMEBF-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