General Information of the Compound
| Compound ID |
CP0527866
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| Compound Name |
N-[5-[2-[[4-[[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]methyl]-1,3-thiazol-4-yl]pentyl]acetamide
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| Structure |
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| Formula |
C33H40N4O4S2
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| Molecular Weight |
620.841
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| Canonical SMILES |
CC(=O)NCCCCCc1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C33H40N4O4S2/c1-25(38)35-20-7-3-6-10-30-24-42-33(36-30)22-27-13-17-31(18-14-27)43(40,41)37-29-15-11-26(12-16-29)19-21-34-23-32(39)28-8-4-2-5-9-28/h2,4-5,8-9,11-18,24,32,34,37,39H,3,6-7,10,19-23H2,1H3,(H,35,38)/t32-/m0/s1
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| InChIKey |
VQOAYUJCYISDCB-YTTGMZPUSA-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