General Information of the Compound
| Compound ID |
CP0474411
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| Compound Name |
5-(2-((1H-indazol-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 |
C24H21N7O2
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| Molecular Weight |
439.479
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| Canonical SMILES |
C(Nc1ccccc1-c1nnc(Nc2ccc3OCCOc3c2)[nH]1)c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C24H21N7O2/c1-2-4-20(25-13-15-5-7-19-16(11-15)14-26-29-19)18(3-1)23-28-24(31-30-23)27-17-6-8-21-22(12-17)33-10-9-32-21/h1-8,11-12,14,25H,9-10,13H2,(H,26,29)(H2,27,28,30,31)
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| InChIKey |
OTWOPLWNMUDINX-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