General Information of the Compound
| Compound ID |
CP0463879
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| Compound Name |
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H30N4O7
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| Molecular Weight |
558.591
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C30H30N4O7/c1-36-25-14-20(15-26(37-2)28(25)38-3)27-22(29(35)31-11-12-39-21-7-5-4-6-8-21)17-33-30(34-27)32-16-19-9-10-23-24(13-19)41-18-40-23/h4-10,13-15,17H,11-12,16,18H2,1-3H3,(H,31,35)(H,32,33,34)
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| InChIKey |
VMRDOTPQGOMFPL-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