General Information of the Compound
| Compound ID |
CP0873653
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| Compound Name |
SID57263481
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| Structure |
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| Formula |
C23H27N3O7S
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| Molecular Weight |
489.55
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| Canonical SMILES |
CCOC(=O)/C=C/C(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1N1CCOCC1
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| InChI |
InChI=1S/C23H27N3O7S/c1-3-33-23(28)11-10-22(27)24-20-16-19(8-9-21(20)26-12-14-32-15-13-26)34(29,30)25-17-4-6-18(31-2)7-5-17/h4-11,16,25H,3,12-15H2,1-2H3,(H,24,27)/b11-10+
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| InChIKey |
RQFQHFJSYQRNIT-ZHACJKMWSA-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