General Information of the Compound
| Compound ID |
CP0036425
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| Compound Name |
1-Hexyl-3-(4-{4-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-piperidine-1-sulfonyl}-phenyl)-urea
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| Structure |
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| Formula |
C27H40N4O6S
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| Molecular Weight |
548.706
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1
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| InChI |
InChI=1S/C27H40N4O6S/c1-2-3-4-5-16-28-27(34)30-22-6-12-26(13-7-22)38(35,36)31-17-14-21(15-18-31)29-19-24(33)20-37-25-10-8-23(32)9-11-25/h6-13,21,24,29,32-33H,2-5,14-20H2,1H3,(H2,28,30,34)/t24-/m0/s1
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| InChIKey |
JBKNIJVKNBLHCV-DEOSSOPVSA-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