General Information of the Compound
| Compound ID |
CP0230988
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| Compound Name |
1-Hexyl-3-(4-{4-[(S)-2-hydroxy-3-(2-oxo-2,3-dihydro-1H-benzoimidazol-4-yloxy)-propylamino]-piperidine-1-sulfonyl}-phenyl)-urea
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| Structure |
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| Formula |
C28H40N6O6S
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| Molecular Weight |
588.731
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
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| InChI |
InChI=1S/C28H40N6O6S/c1-2-3-4-5-15-29-27(36)31-21-9-11-23(12-10-21)41(38,39)34-16-13-20(14-17-34)30-18-22(35)19-40-25-8-6-7-24-26(25)33-28(37)32-24/h6-12,20,22,30,35H,2-5,13-19H2,1H3,(H2,29,31,36)(H2,32,33,37)/t22-/m0/s1
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| InChIKey |
GOLDZJWTXOZURY-QFIPXVFZSA-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