General Information of the Compound
| Compound ID |
CP0555868
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| Compound Name |
(3aR,6aS)-5-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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| Structure |
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| Formula |
C22H24Cl2N2O3S
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| Molecular Weight |
467.418
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2C[C@@H]3CNC[C@@H]3C2)cc1
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| InChI |
InChI=1S/C22H24Cl2N2O3S/c1-30(27,28)17-4-2-16(3-5-17)29-22-19-6-15(23)7-20(24)18(19)8-21(22)26-11-13-9-25-10-14(13)12-26/h2-7,13-14,21-22,25H,8-12H2,1H3/t13-,14+,21-,22-/m0/s1
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| InChIKey |
KEHYKFXDVHOVQW-RZMCSOMXSA-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