General Information of the Compound
| Compound ID |
CP0527463
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| Compound Name |
1-(3,3-diphenylpropyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C31H36N4O3S
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| Molecular Weight |
544.721
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| Canonical SMILES |
CCOc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
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| InChI |
InChI=1S/C31H36N4O3S/c1-2-38-26-13-14-28-29(23-26)39-30(32-28)33-31(36)35(18-17-34-19-21-37-22-20-34)16-15-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-14,23,27H,2,15-22H2,1H3,(H,32,33,36)
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| InChIKey |
GWFMJOSUQIGWBN-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