General Information of the Compound
| Compound ID |
CP0565199
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| Compound Name |
4-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dichlorobenzenesulfonamide
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| Structure |
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| Formula |
C20H21Cl4N3O3S
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| Molecular Weight |
525.285
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(c(Cl)c1Cl)S(N)(=O)=O
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| InChI |
InChI=1S/C20H21Cl4N3O3S/c21-10-6-13-12(14(22)7-10)8-15(27-5-1-2-11(25)9-27)20(13)30-16-3-4-17(31(26,28)29)19(24)18(16)23/h3-4,6-7,11,15,20H,1-2,5,8-9,25H2,(H2,26,28,29)/t11-,15+,20+/m1/s1
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| InChIKey |
ASXZHNKYJNFOFU-SZELWCTASA-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