General Information of the Compound
| Compound ID |
CP0297665
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| Compound Name |
5-(2-((1H-imidazol-5-yl)methylamino)phenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C20H19N7O2
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| Molecular Weight |
389.419
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| Canonical SMILES |
C(Nc1ccccc1-c1nnc(Nc2ccc3OCCOc3c2)[nH]1)c1cnc[nH]1
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| InChI |
InChI=1S/C20H19N7O2/c1-2-4-16(22-11-14-10-21-12-23-14)15(3-1)19-25-20(27-26-19)24-13-5-6-17-18(9-13)29-8-7-28-17/h1-6,9-10,12,22H,7-8,11H2,(H,21,23)(H2,24,25,26,27)
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| InChIKey |
CKSBDQXXWMADNO-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