General Information of the Compound
| Compound ID |
CP0069794
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| Compound Name |
4-(2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyridin-3-yl)benzamide
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| Structure |
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| Formula |
C18H15N3O3S
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| Molecular Weight |
353.403
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1scc2OCCOc12
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| InChI |
InChI=1S/C18H15N3O3S/c19-17-13(10-1-3-11(4-2-10)18(20)22)7-12(8-21-17)16-15-14(9-25-16)23-5-6-24-15/h1-4,7-9H,5-6H2,(H2,19,21)(H2,20,22)
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| InChIKey |
AWUXFIAHZKNRJF-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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