General Information of the Compound
| Compound ID |
CP0406160
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| Compound Name |
1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-3-methyl-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-octyl-urea
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| Structure |
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| Formula |
C31H48N4O6S
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| Molecular Weight |
604.814
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| Canonical SMILES |
CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)c(C)c2)CC1
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| InChI |
InChI=1S/C31H48N4O6S/c1-3-4-5-6-7-8-17-33-31(38)34-26-9-12-29(13-10-26)42(39,40)35-18-15-25(16-19-35)21-32-22-27(36)23-41-28-11-14-30(37)24(2)20-28/h9-14,20,25,27,32,36-37H,3-8,15-19,21-23H2,1-2H3,(H2,33,34,38)/t27-/m0/s1
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| InChIKey |
YIMXSYRPWFJSFY-MHZLTWQESA-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