General Information of the Compound
| Compound ID |
CP0562835
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| Compound Name |
N-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide
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| Structure |
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| Formula |
C26H22ClN3O2S2
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| Molecular Weight |
508.068
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| Canonical SMILES |
Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)cc1
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| InChI |
InChI=1S/C26H22ClN3O2S2/c27-18-9-7-17(8-10-18)16-33-26-29-22-12-11-19(15-23(22)34-26)28-24(31)20-5-1-2-6-21(20)25(32)30-13-3-4-14-30/h1-2,5-12,15H,3-4,13-14,16H2,(H,28,31)
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| InChIKey |
ZRXCMNYOWWCGIL-UHFFFAOYSA-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