General Information of the Compound
| Compound ID |
CP0352395
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-imidazol-1-ylphenyl)piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
O=C(CC1CCCCN1c1cccc(c1)-n1ccnc1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H26N4O3/c29-24(26-15-18-7-8-22-23(12-18)31-17-30-22)14-21-4-1-2-10-28(21)20-6-3-5-19(13-20)27-11-9-25-16-27/h3,5-9,11-13,16,21H,1-2,4,10,14-15,17H2,(H,26,29)
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| InChIKey |
YJJUDDTUAPFIMD-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