General Information of the Compound
| Compound ID |
CP0395695
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| Compound Name |
1-[(1S,2S)-6-chloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
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| Structure |
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| Formula |
C20H23ClN2O3S
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| Molecular Weight |
406.935
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N2CCNCC2)cc1
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| InChI |
InChI=1S/C20H23ClN2O3S/c1-27(24,25)17-6-4-16(5-7-17)26-20-18-13-15(21)3-2-14(18)12-19(20)23-10-8-22-9-11-23/h2-7,13,19-20,22H,8-12H2,1H3/t19-,20-/m0/s1
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| InChIKey |
ARKKNXHGUUGHIR-PMACEKPBSA-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