General Information of the Compound
| Compound ID |
CP0877966
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| Compound Name |
5-Fluoro-1-[(4-isopropylphenyl)sulfonyl]-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dihydrochloride
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| Structure |
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| Formula |
C23H30Cl2FN3O2S
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| Molecular Weight |
502.483
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| Canonical SMILES |
CC(C)c1ccc(S(=O)(=O)n2cc(CN3CCN(C)CC3)c3cc(F)ccc32)cc1.Cl.Cl
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| InChI |
InChI=1S/C23H28FN3O2S.2ClH/c1-17(2)18-4-7-21(8-5-18)30(28,29)27-16-19(15-26-12-10-25(3)11-13-26)22-14-20(24)6-9-23(22)27;;/h4-9,14,16-17H,10-13,15H2,1-3H3;2*1H
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| InChIKey |
FBHKLIXDJQWSKG-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