General Information of the Compound
| Compound ID |
CP0505669
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| Compound Name |
6-(2-Isopropoxy-ethylamino)-[3,4']bipyridinyl-5-carboxylic acid (1-benzo[1,3]dioxol-5-ylmethyl-piperidin-4-yl)-amide
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| Structure |
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| Formula |
C29H35N5O4
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| Molecular Weight |
517.63
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| Canonical SMILES |
CC(C)OCCNc1ncc(cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1)-c1ccncc1
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| InChI |
InChI=1S/C29H35N5O4/c1-20(2)36-14-11-31-28-25(16-23(17-32-28)22-5-9-30-10-6-22)29(35)33-24-7-12-34(13-8-24)18-21-3-4-26-27(15-21)38-19-37-26/h3-6,9-10,15-17,20,24H,7-8,11-14,18-19H2,1-2H3,(H,31,32)(H,33,35)
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| InChIKey |
VUKJLBVYYGLZME-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