General Information of the Compound
| Compound ID |
CP0051595
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| Compound Name |
3-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylamino)-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
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| Structure |
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| Formula |
C21H18N6O3
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| Molecular Weight |
402.414
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| Canonical SMILES |
C(Nc1ncccc1-c1nnc(Nc2ccc3OCCOc3c2)o1)c1cccnc1
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| InChI |
InChI=1S/C21H18N6O3/c1-3-14(12-22-7-1)13-24-19-16(4-2-8-23-19)20-26-27-21(30-20)25-15-5-6-17-18(11-15)29-10-9-28-17/h1-8,11-12H,9-10,13H2,(H,23,24)(H,25,27)
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| InChIKey |
XINWQRHEYTZCMW-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