General Information of the Compound
| Compound ID |
CP0495201
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(1H-imidazol-5-ylmethylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H25ClN6O3
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| Molecular Weight |
468.945
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| Canonical SMILES |
Clc1cnc(NCc2cnc[nH]2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H25ClN6O3/c24-16-8-19(22(26-9-16)27-11-18-10-25-13-28-18)23(31)29-17-3-5-30(6-4-17)12-15-1-2-20-21(7-15)33-14-32-20/h1-2,7-10,13,17H,3-6,11-12,14H2,(H,25,28)(H,26,27)(H,29,31)
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| InChIKey |
FHPVJZFHHRUENR-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