General Information of the Compound
| Compound ID |
CP0544140
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| Compound Name |
N-[(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]thiophene-2-sulfonamide
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| Formula |
C21H29N3O3S2
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| Molecular Weight |
435.615
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C21H29N3O3S2/c1-27-20-10-5-4-9-19(20)24-14-12-23(13-15-24)18-8-3-2-7-17(18)22-29(25,26)21-11-6-16-28-21/h4-6,9-11,16-18,22H,2-3,7-8,12-15H2,1H3/t17-,18-/m0/s1
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| InChIKey |
LTYASQAWYITEFV-ROUUACIJSA-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
Protein ID: PT05965, Mucolipin-1
Protein ID: PT07510, Mucolipin-2
Protein ID: PT06343, Mucolipin-3