General Information of the Compound
| Compound ID |
CP0384274
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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]-methyl}-piperidine-1-sulfonyl)-phenyl]-urea
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| Structure |
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| Formula |
C29H42N6O6S
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| Molecular Weight |
602.758
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)CC1
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| InChI |
InChI=1S/C29H42N6O6S/c1-2-3-4-5-15-31-28(37)32-22-9-11-24(12-10-22)42(39,40)35-16-13-21(14-17-35)18-30-19-23(36)20-41-26-8-6-7-25-27(26)34-29(38)33-25/h6-12,21,23,30,36H,2-5,13-20H2,1H3,(H2,31,32,37)(H2,33,34,38)/t23-/m0/s1
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| InChIKey |
NALNFOIDKUZXNN-QHCPKHFHSA-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