General Information of the Compound
| Compound ID |
CP0515176
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]urea
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
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| InChI |
InChI=1S/C22H27N3O2/c1-22(2,3)17-6-4-15(5-7-17)13-25-21(27)23-11-10-16-14-24-20-9-8-18(26)12-19(16)20/h4-9,12,14,24,26H,10-11,13H2,1-3H3,(H2,23,25,27)
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| InChIKey |
BSDCXXMEVRPTGD-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