General Information of the Compound
| Compound ID |
CP0407273
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| Compound Name |
[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
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| Structure |
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| Formula |
C23H26ClN3O3S
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| Molecular Weight |
459.999
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| Canonical SMILES |
CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H26ClN3O3S/c1-16-14-18-15-21(8-9-22(18)27(16)23(28)17-2-3-17)31(29,30)26-12-10-25(11-13-26)20-6-4-19(24)5-7-20/h4-9,15-17H,2-3,10-14H2,1H3
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| InChIKey |
XVBXKCJNSJIPOJ-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
Protein ID: PT06109, Geminin
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2