General Information of the Compound
| Compound ID |
CP0505668
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-thiophen-2-ylpyridine-3-carboxamide
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| Structure |
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| Formula |
C28H34N4O4S
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| Molecular Weight |
522.671
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| Canonical SMILES |
CC(C)OCCNc1ncc(cc1C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1)-c1cccs1
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| InChI |
InChI=1S/C28H34N4O4S/c1-19(2)34-12-9-29-27-23(15-21(16-30-27)26-4-3-13-37-26)28(33)31-22-7-10-32(11-8-22)17-20-5-6-24-25(14-20)36-18-35-24/h3-6,13-16,19,22H,7-12,17-18H2,1-2H3,(H,29,30)(H,31,33)
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| InChIKey |
SGVMBLIBPTWPGF-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