General Information of the Compound
| Compound ID |
CP0128439
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| Compound Name |
2-Amino-N-(2-aminoethyl)-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)nicotinamide
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| Structure |
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| Formula |
C14H16N4O3S
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| Molecular Weight |
320.374
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| Canonical SMILES |
NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
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| InChI |
InChI=1S/C14H16N4O3S/c15-1-2-17-14(19)9-5-8(6-18-13(9)16)12-11-10(7-22-12)20-3-4-21-11/h5-7H,1-4,15H2,(H2,16,18)(H,17,19)
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| InChIKey |
RSXFSSZTSZFLPI-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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Table of Molecular Bioactivities Related to the Compound