General Information of the Compound
| Compound ID |
CP0392096
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(1H-imidazol-2-ylmethylamino)-5-methoxybenzamide
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| Structure |
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| Formula |
C25H29N5O4
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| Molecular Weight |
463.538
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| Canonical SMILES |
COc1ccc(NCc2ncc[nH]2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C25H29N5O4/c1-32-19-3-4-21(28-14-24-26-8-9-27-24)20(13-19)25(31)29-18-6-10-30(11-7-18)15-17-2-5-22-23(12-17)34-16-33-22/h2-5,8-9,12-13,18,28H,6-7,10-11,14-16H2,1H3,(H,26,27)(H,29,31)
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| InChIKey |
SAHYNHFAOFTPKF-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