General Information of the Compound
| Compound ID |
CP0475543
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| Compound Name |
1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]urea
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| Structure |
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| Formula |
C21H28N2O5
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| Molecular Weight |
388.464
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| Canonical SMILES |
COc1ccc(CCNC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC
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| InChI |
InChI=1S/C21H28N2O5/c1-25-17-7-5-15(13-19(17)27-3)9-11-22-21(24)23-12-10-16-6-8-18(26-2)20(14-16)28-4/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,24)
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| InChIKey |
BFGSNXDOSDEWHG-UHFFFAOYSA-N
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| CAS |
5467-91-4
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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