General Information of the Compound
| Compound ID |
CP0888599
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| Compound Name |
(3-((2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazono)methyl)-1H-indol-1-yl)(p-tolyl)methanone
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| Structure |
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| Formula |
C28H30N8O3
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| Molecular Weight |
526.601
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| Canonical SMILES |
Cc1ccc(C(=O)n2cc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c3ccccc32)cc1
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| InChI |
InChI=1S/C28H30N8O3/c1-20-6-8-21(9-7-20)25(37)36-19-22(23-4-2-3-5-24(23)36)18-29-33-26-30-27(34-10-14-38-15-11-34)32-28(31-26)35-12-16-39-17-13-35/h2-9,18-19H,10-17H2,1H3,(H,30,31,32,33)/b29-18+
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| InChIKey |
DCFKXALHTJRKPL-RDRPBHBLSA-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