General Information of the Compound
| Compound ID |
CP0438996
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(1,3-thiazol-4-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(NCc2cscn2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H24ClN5O3S/c24-16-8-19(22(25-9-16)26-10-18-12-33-13-27-18)23(30)28-17-3-5-29(6-4-17)11-15-1-2-20-21(7-15)32-14-31-20/h1-2,7-9,12-13,17H,3-6,10-11,14H2,(H,25,26)(H,28,30)
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| InChIKey |
RGUHVPHGUPECBL-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