General Information of the Compound
| Compound ID |
CP0392923
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| Compound Name |
1-[4-(4-{[(S)-2-Hydroxy-3-(2-oxo-2,3-dihydro-1H-indol-4-yloxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-octyl-urea
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| Structure |
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| Formula |
C32H47N5O6S
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| Molecular Weight |
629.824
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| Canonical SMILES |
CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2cccc3NC(=O)Cc23)CC1
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| InChI |
InChI=1S/C32H47N5O6S/c1-2-3-4-5-6-7-17-34-32(40)35-25-11-13-27(14-12-25)44(41,42)37-18-15-24(16-19-37)21-33-22-26(38)23-43-30-10-8-9-29-28(30)20-31(39)36-29/h8-14,24,26,33,38H,2-7,15-23H2,1H3,(H,36,39)(H2,34,35,40)/t26-/m0/s1
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| InChIKey |
JLPCKTBSUXZHDJ-SANMLTNESA-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