General Information of the Compound
| Compound ID |
CP0900335
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| Compound Name |
SID864737
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| Structure |
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| Formula |
C22H28N4O2S
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| Molecular Weight |
412.559
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| Canonical SMILES |
CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1
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| InChI |
InChI=1S/C22H28N4O2S/c1-17-10-13-26(14-11-17)15-12-22-23-20-16-18(8-9-21(20)25(22)2)24-29(27,28)19-6-4-3-5-7-19/h3-9,16-17,24H,10-15H2,1-2H3
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| InChIKey |
JOPYSHUIKNLFHH-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