General Information of the Compound
| Compound ID |
CP0503890
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| Compound Name |
2,2-dimethyl-3-[4-(phenylselanylmethyl)triazol-1-yl]-3H-benzo[g][1]benzofuran-4,5-dione
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| Structure |
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| Formula |
C23H19N3O3Se
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| Molecular Weight |
464.383
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| Canonical SMILES |
CC1(C)OC2=C(C1n1cc(C[Se]c3ccccc3)nn1)C(=O)C(=O)c1ccccc21
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| InChI |
InChI=1S/C23H19N3O3Se/c1-23(2)22(26-12-14(24-25-26)13-30-15-8-4-3-5-9-15)18-20(28)19(27)16-10-6-7-11-17(16)21(18)29-23/h3-12,22H,13H2,1-2H3
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| InChIKey |
DRDCWILTIUDZCE-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