General Information of the Compound
| Compound ID |
CP0873366
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| Compound Name |
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indol-5-yl]-amide
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| Structure |
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| Formula |
C23H24ClN3O2S2
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| Molecular Weight |
474.051
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| Canonical SMILES |
Cc1c(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4C)c3c2)sc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H24ClN3O2S2/c1-14-19-11-16(24)5-8-22(19)30-23(14)31(28,29)26-17-6-7-21-20(12-17)15(13-25-21)10-18-4-3-9-27(18)2/h5-8,11-13,18,25-26H,3-4,9-10H2,1-2H3/t18-/m0/s1
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| InChIKey |
KQRPYRJEZVKCOI-SFHVURJKSA-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