General Information of the Compound
| Compound ID |
CP0233049
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| Compound Name |
MLS001075488
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| Structure |
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| Formula |
C23H24N4O5S
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| Molecular Weight |
468.535
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| Canonical SMILES |
CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C23H24N4O5S/c1-15(28)24-16-7-9-17(10-8-16)33(31,32)25-20-21(27-13-11-26(2)12-14-27)23(30)19-6-4-3-5-18(19)22(20)29/h3-10,25H,11-14H2,1-2H3,(H,24,28)
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| InChIKey |
QGZJJVMTJMWGFO-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: PT06033, Microphthalmia-associated transcription factor