General Information of the Compound
| Compound ID |
CP0505278
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| Compound Name |
1-(1,3-benzodioxol-5-ylmethyl)-N-(4-imidazol-1-ylphenyl)piperidin-3-amine
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| Structure |
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
C(N1CCCC(C1)Nc1ccc(cc1)-n1ccnc1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H24N4O2/c1-2-19(24-18-4-6-20(7-5-18)26-11-9-23-15-26)14-25(10-1)13-17-3-8-21-22(12-17)28-16-27-21/h3-9,11-12,15,19,24H,1-2,10,13-14,16H2
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| InChIKey |
KYDUFQIZMRXXFB-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