General Information of the Compound
| Compound ID |
CP0205342
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| Compound Name |
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
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| Structure |
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| Formula |
C24H28FN5O4
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| Molecular Weight |
469.517
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| Canonical SMILES |
COc1ccc2ncc(F)c([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
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| InChI |
InChI=1S/C24H28FN5O4/c1-32-22-3-2-18-24(29-22)23(17(25)12-28-18)19(31)14-30-6-4-15(5-7-30)26-11-16-10-20-21(13-27-16)34-9-8-33-20/h2-3,10,12-13,15,19,26,31H,4-9,11,14H2,1H3/t19-/m0/s1
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| InChIKey |
RZRAMVRYNHVTFQ-IBGZPJMESA-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