General Information of the Compound
| Compound ID |
CP0419624
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| Compound Name |
1-[(1S,2S)-5,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-1,4-diazepane
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| Structure |
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| Formula |
C21H24Cl2N2O3S
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| Molecular Weight |
455.407
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3cc(Cl)c(Cl)cc23)N2CCCNCC2)cc1
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| InChI |
InChI=1S/C21H24Cl2N2O3S/c1-29(26,27)16-5-3-15(4-6-16)28-21-17-13-19(23)18(22)11-14(17)12-20(21)25-9-2-7-24-8-10-25/h3-6,11,13,20-21,24H,2,7-10,12H2,1H3/t20-,21-/m0/s1
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| InChIKey |
LXOZOOMUCRIBHI-SFTDATJTSA-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