General Information of the Compound
| Compound ID |
CP0510295
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| Compound Name |
4-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]methyl]-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C38H43N3O3S2
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| Molecular Weight |
653.914
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| Canonical SMILES |
CCCCCCc1ccc(cc1)-c1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
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| InChI |
InChI=1S/C38H43N3O3S2/c1-2-3-4-6-9-29-12-18-32(19-13-29)36-28-45-38(40-36)26-31-16-22-35(23-17-31)46(43,44)41-34-20-14-30(15-21-34)24-25-39-27-37(42)33-10-7-5-8-11-33/h5,7-8,10-23,28,37,39,41-42H,2-4,6,9,24-27H2,1H3/t37-/m0/s1
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| InChIKey |
MSGFUWGUNJJZIQ-QNGWXLTQSA-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