General Information of the Compound
| Compound ID |
CP0429278
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| Compound Name |
1-[(3R)-4-(4,5-dibromo-2-thiophen-2-ylphenyl)sulfonyl-3-methylpentyl]-4-methylpiperidine
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| Structure |
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| Formula |
C22H29Br2NO2S2
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| Molecular Weight |
563.421
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| Canonical SMILES |
C[C@H](CCN1CCC(C)CC1)C(C)S(=O)(=O)c1cc(Br)c(Br)cc1-c1cccs1
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| InChI |
InChI=1S/C22H29Br2NO2S2/c1-15-6-9-25(10-7-15)11-8-16(2)17(3)29(26,27)22-14-20(24)19(23)13-18(22)21-5-4-12-28-21/h4-5,12-17H,6-11H2,1-3H3/t16-,17?/m1/s1
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| InChIKey |
YGWIZVNCKBJGHU-TZHYSIJRSA-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