General Information of the Compound
| Compound ID |
CP0515691
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2,5-dichloropyridine-3-carboxamide
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| Structure |
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| Formula |
C19H19Cl2N3O3
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| Molecular Weight |
408.285
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| Canonical SMILES |
Clc1cnc(Cl)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C19H19Cl2N3O3/c20-13-8-15(18(21)22-9-13)19(25)23-14-3-5-24(6-4-14)10-12-1-2-16-17(7-12)27-11-26-16/h1-2,7-9,14H,3-6,10-11H2,(H,23,25)
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| InChIKey |
RHECTQPLXWOTCO-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