General Information of the Compound
| Compound ID |
CP0514719
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| Compound Name |
N-[2-[7-[(3,4-dichlorophenyl)methylamino]-3-(4-methylphenyl)-2-oxopyrido[3,4-b]pyrazin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C25H23Cl2N5O2
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| Molecular Weight |
496.398
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| Canonical SMILES |
CC(=O)NCCn1c2cc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2ccc(C)cc2)c1=O
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| InChI |
InChI=1S/C25H23Cl2N5O2/c1-15-3-6-18(7-4-15)24-25(34)32(10-9-28-16(2)33)22-12-23(30-14-21(22)31-24)29-13-17-5-8-19(26)20(27)11-17/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,28,33)(H,29,30)
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| InChIKey |
DDSXQYZPRHWCRJ-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