General Information of the Compound
| Compound ID |
CP0889069
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| Compound Name |
SID22414063
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| Structure |
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| Formula |
C21H22N2O4S
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| Molecular Weight |
398.484
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| Canonical SMILES |
O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccco1
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| InChI |
InChI=1S/C21H22N2O4S/c24-21(22-16-19-7-4-14-27-19)13-10-17-8-11-20(12-9-17)28(25,26)23-15-18-5-2-1-3-6-18/h1-9,11-12,14,23H,10,13,15-16H2,(H,22,24)
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| InChIKey |
IFWFCWFLKNJJHR-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: PT06124, Paired box protein Pax-8