General Information of the Compound
| Compound ID |
CP0486675
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| Compound Name |
N-[4-[2-[[4-[[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]methyl]-1,3-thiazol-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C34H34N4O4S2
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| Molecular Weight |
626.804
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C34H34N4O4S2/c1-24(39)36-29-15-11-27(12-16-29)32-23-43-34(37-32)21-26-9-17-31(18-10-26)44(41,42)38-30-13-7-25(8-14-30)19-20-35-22-33(40)28-5-3-2-4-6-28/h2-18,23,33,35,38,40H,19-22H2,1H3,(H,36,39)/t33-/m0/s1
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| InChIKey |
NEJCBINLDBVJRU-XIFFEERXSA-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