General Information of the Compound
| Compound ID |
CP0218509
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| Compound Name |
5-(2-((1H-indazol-5-yl)methylamino)pyridin-3-yl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-oxadiazol-2-amine
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| Structure |
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| Formula |
C23H19N7O3
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| Molecular Weight |
441.451
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| Canonical SMILES |
C(Nc1ncccc1-c1nnc(Nc2ccc3OCCOc3c2)o1)c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C23H19N7O3/c1-2-17(21(24-7-1)25-12-14-3-5-18-15(10-14)13-26-28-18)22-29-30-23(33-22)27-16-4-6-19-20(11-16)32-9-8-31-19/h1-7,10-11,13H,8-9,12H2,(H,24,25)(H,26,28)(H,27,30)
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| InChIKey |
XSLTXDDPGLKZEV-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