General Information of the Compound
| Compound ID |
CP0492697
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| Compound Name |
1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-methyl}-piperidine-1-sulfonyl)-phenyl]-3-isobutyl-urea
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| Structure |
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| Formula |
C26H38N4O6S
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| Molecular Weight |
534.679
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| Canonical SMILES |
CC(C)CNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
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| InChI |
InChI=1S/C26H38N4O6S/c1-19(2)15-28-26(33)29-21-3-9-25(10-4-21)37(34,35)30-13-11-20(12-14-30)16-27-17-23(32)18-36-24-7-5-22(31)6-8-24/h3-10,19-20,23,27,31-32H,11-18H2,1-2H3,(H2,28,29,33)/t23-/m0/s1
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| InChIKey |
IRJBKQCEXBHFKJ-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