General Information of the Compound
| Compound ID |
CP0478454
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| Compound Name |
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-[(3R)-oxolan-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H33N3O4S2
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| Molecular Weight |
515.701
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| Canonical SMILES |
CCCCNCc1ccc(cc1)-c1nc(CN([C@@H]2CCOC2)S(=O)(=O)c2ccc(OC)cc2)cs1
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| InChI |
InChI=1S/C26H33N3O4S2/c1-3-4-14-27-16-20-5-7-21(8-6-20)26-28-22(19-34-26)17-29(23-13-15-33-18-23)35(30,31)25-11-9-24(32-2)10-12-25/h5-12,19,23,27H,3-4,13-18H2,1-2H3/t23-/m1/s1
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| InChIKey |
MPGDQYRIOKKHPX-HSZRJFAPSA-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