General Information of the Compound
| Compound ID |
CP0205340
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| Compound Name |
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C25H29FN4O3
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| Molecular Weight |
452.53
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| Canonical SMILES |
COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
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| InChI |
InChI=1S/C25H29FN4O3/c1-31-19-2-3-23-21(13-19)20(22(26)15-29-23)6-9-30-7-4-17(5-8-30)27-14-18-12-24-25(16-28-18)33-11-10-32-24/h2-3,12-13,15-17,27H,4-11,14H2,1H3
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| InChIKey |
NYZLMSOMDMODPY-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