General Information of the Compound
| Compound ID |
CP0441804
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| Compound Name |
4-[[4-(1-benzothiophen-2-yl)-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 |
C34H31N3O3S3
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| Molecular Weight |
625.841
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3cc4ccccc4s3)cc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C34H31N3O3S3/c38-31(26-6-2-1-3-7-26)22-35-19-18-24-10-14-28(15-11-24)37-43(39,40)29-16-12-25(13-17-29)20-34-36-30(23-41-34)33-21-27-8-4-5-9-32(27)42-33/h1-17,21,23,31,35,37-38H,18-20,22H2/t31-/m0/s1
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| InChIKey |
JZQBCQRICLXOOE-HKBQPEDESA-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