General Information of the Compound
| Compound ID |
CP0378231
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[[4-[(1E,5E)-octa-1,5-dienyl]-1,3-thiazol-2-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C34H39N3O3S2
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| Molecular Weight |
601.838
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| Canonical SMILES |
CC\C=C\CC\C=C\c1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C34H39N3O3S2/c1-2-3-4-5-6-10-13-31-26-41-34(36-31)24-28-16-20-32(21-17-28)42(39,40)37-30-18-14-27(15-19-30)22-23-35-25-33(38)29-11-8-7-9-12-29/h3-4,7-21,26,33,35,37-38H,2,5-6,22-25H2,1H3/b4-3+,13-10+/t33-/m0/s1
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| InChIKey |
JRTHOLUXAWUFPQ-KIVUXADTSA-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