General Information of the Compound
| Compound ID |
CP0399777
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| Compound Name |
1-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyl)-3-piperidin-3-yl-1H-indole
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| Structure |
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| Formula |
C22H21ClN2O2S2
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| Molecular Weight |
445.009
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)n1cc(C2CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C22H21ClN2O2S2/c1-14-18-11-16(23)8-9-21(18)28-22(14)29(26,27)25-13-19(15-5-4-10-24-12-15)17-6-2-3-7-20(17)25/h2-3,6-9,11,13,15,24H,4-5,10,12H2,1H3
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| InChIKey |
JDPOPUCQVIJNNU-UHFFFAOYSA-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