General Information of the Compound
| Compound ID |
CP0495202
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H24ClN5O3S
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| Molecular Weight |
485.997
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| Canonical SMILES |
Clc1cnc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H24ClN5O3S/c24-16-10-18(22(26-11-16)27-12-21-25-5-8-33-21)23(30)28-17-3-6-29(7-4-17)13-15-1-2-19-20(9-15)32-14-31-19/h1-2,5,8-11,17H,3-4,6-7,12-14H2,(H,26,27)(H,28,30)
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| InChIKey |
DRKRJLHXAWZXGK-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