General Information of the Compound
| Compound ID |
CP0436017
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[2-(4-octyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C35H45N3O3S2
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| Molecular Weight |
619.897
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| Canonical SMILES |
CCCCCCCCc1csc(CCc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C35H45N3O3S2/c1-2-3-4-5-6-10-13-32-27-42-35(37-32)23-18-28-16-21-33(22-17-28)43(40,41)38-31-19-14-29(15-20-31)24-25-36-26-34(39)30-11-8-7-9-12-30/h7-9,11-12,14-17,19-22,27,34,36,38-39H,2-6,10,13,18,23-26H2,1H3/t34-/m0/s1
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| InChIKey |
DBFJLILKGHGCCW-UMSFTDKQSA-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