General Information of the Compound
| Compound ID |
CP0395693
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| Compound Name |
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-3-methylpiperazine
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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 |
C[C@@H]1CN(CCN1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H24Cl2N2O3S/c1-13-12-25(8-7-24-13)20-11-17-18(9-14(22)10-19(17)23)21(20)28-15-3-5-16(6-4-15)29(2,26)27/h3-6,9-10,13,20-21,24H,7-8,11-12H2,1-2H3/t13-,20+,21+/m1/s1
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| InChIKey |
YGGGTCCGYXPMGO-UBWHGVKJSA-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