General Information of the Compound
| Compound ID |
CP0410295
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| Compound Name |
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C22H24N4O3/c1-26-9-8-15(13-18(26)21-24-16-4-2-3-5-17(16)25-21)23-22(27)14-6-7-19-20(12-14)29-11-10-28-19/h2-7,12,15,18H,8-11,13H2,1H3,(H,23,27)(H,24,25)/t15-,18-/m1/s1
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| InChIKey |
WJZXLGBXZRBBHC-CRAIPNDOSA-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