General Information of the Compound
| Compound ID |
CP0465166
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| Compound Name |
1-(4-tert-butylphenyl)-3-(1-(cyclooctenylmethyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C25H39N3O
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| Molecular Weight |
397.607
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)cc1
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| InChI |
InChI=1S/C25H39N3O/c1-25(2,3)21-11-13-22(14-12-21)26-24(29)27-23-15-17-28(18-16-23)19-20-9-7-5-4-6-8-10-20/h9,11-14,23H,4-8,10,15-19H2,1-3H3,(H2,26,27,29)/b20-9+
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| InChIKey |
KFQYLSALERXAQP-AWQFTUOYSA-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