General Information of the Compound
| Compound ID |
CP0180639
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| Compound Name |
MLS000520174
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| Structure |
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| Formula |
C22H26N2O2S
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| Molecular Weight |
382.529
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| Canonical SMILES |
CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCCCOCC
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| InChI |
InChI=1S/C22H26N2O2S/c1-3-8-18-17-9-5-6-10-20(17)27-21-12-11-16(15-19(21)24-18)22(25)23-13-7-14-26-4-2/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,23,25)
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| InChIKey |
JSJPVULDXYUSGX-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8