General Information of the Compound
| Compound ID |
CP0511331
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| Compound Name |
6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C31H31N3O7
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| Molecular Weight |
557.603
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C31H31N3O7/c1-36-26-16-21(17-27(37-2)30(26)38-3)29-23(31(35)32-13-14-39-22-7-5-4-6-8-22)10-12-28(34-29)33-18-20-9-11-24-25(15-20)41-19-40-24/h4-12,15-17H,13-14,18-19H2,1-3H3,(H,32,35)(H,33,34)
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| InChIKey |
HSVSYUQSHIQVSF-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