General Information of the Compound
| Compound ID |
CP0403380
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(cyclopropylmethylamino)-5-methoxybenzamide
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| Structure |
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
COc1ccc(NCC2CC2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C25H31N3O4/c1-30-20-5-6-22(26-14-17-2-3-17)21(13-20)25(29)27-19-8-10-28(11-9-19)15-18-4-7-23-24(12-18)32-16-31-23/h4-7,12-13,17,19,26H,2-3,8-11,14-16H2,1H3,(H,27,29)
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| InChIKey |
MHRMHXVXRNSIPN-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