General Information of the Compound
| Compound ID |
CP0572626
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| Compound Name |
(3aS,6aR)-5-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
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| Structure |
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| Formula |
C23H26Cl2N2O3S
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| Molecular Weight |
481.445
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| Canonical SMILES |
CN1C[C@H]2CN(C[C@H]2C1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H26Cl2N2O3S/c1-26-10-14-12-27(13-15(14)11-26)22-9-19-20(7-16(24)8-21(19)25)23(22)30-17-3-5-18(6-4-17)31(2,28)29/h3-8,14-15,22-23H,9-13H2,1-2H3/t14-,15+,22-,23-/m0/s1
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| InChIKey |
MHJPMDYQFUOPCC-CYFXWZIOSA-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