General Information of the Compound
| Compound ID |
CP0337894
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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-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
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| Structure |
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| Formula |
C24H29N5O4
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| Molecular Weight |
451.527
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| Canonical SMILES |
COc1ccc2nccc([C@@H](O)CN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1
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| InChI |
InChI=1S/C24H29N5O4/c1-31-23-3-2-19-24(28-23)18(4-7-25-19)20(30)15-29-8-5-16(6-9-29)26-13-17-12-21-22(14-27-17)33-11-10-32-21/h2-4,7,12,14,16,20,26,30H,5-6,8-11,13,15H2,1H3/t20-/m0/s1
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| InChIKey |
PITSXODQFZPJCK-FQEVSTJZSA-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