General Information of the Compound
| Compound ID |
CP0194821
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| Compound Name |
1-[4,6-bis(p-anisidino)-s-triazin-2-yl]-4,5-dimethyl-3-pyrazolin-3-one
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| Structure |
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| Formula |
C22H23N7O3
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| Molecular Weight |
433.472
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| Canonical SMILES |
COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1
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| InChI |
InChI=1S/C22H23N7O3/c1-13-14(2)29(28-19(13)30)22-26-20(23-15-5-9-17(31-3)10-6-15)25-21(27-22)24-16-7-11-18(32-4)12-8-16/h5-12H,1-4H3,(H,28,30)(H2,23,24,25,26,27)
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| InChIKey |
CHBYZRJINZCOBD-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
Protein ID: PT02805, CREB-binding protein
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic