General Information of the Compound
| Compound ID |
CP0474589
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| Compound Name |
1-[4-[4-[(1-cyclopropylcarbonyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]phenyl]ethanone
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| Structure |
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| Formula |
C25H29N3O4S
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| Molecular Weight |
467.591
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| Canonical SMILES |
CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C25H29N3O4S/c1-17-15-21-16-23(9-10-24(21)28(17)25(30)20-3-4-20)33(31,32)27-13-11-26(12-14-27)22-7-5-19(6-8-22)18(2)29/h5-10,16-17,20H,3-4,11-15H2,1-2H3
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| InChIKey |
CTOUPQYQBBHPSX-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