General Information of the Compound
| Compound ID |
CP0515540
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| Compound Name |
1-chloro-3-[(1R)-2-[2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]phenyl]ethylamino]-1-hydroxyethyl]benzene
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| Structure |
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| Formula |
C23H32ClN3O3S
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| Molecular Weight |
466.047
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| Canonical SMILES |
CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C23H32ClN3O3S/c1-27(22-8-3-2-4-9-22)31(29,30)26-21-12-10-18(11-13-21)14-15-25-17-23(28)19-6-5-7-20(24)16-19/h5-7,10-13,16,22-23,25-26,28H,2-4,8-9,14-15,17H2,1H3/t23-/m0/s1
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| InChIKey |
UBBHQAMZVMCWJO-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