General Information of the Compound
| Compound ID |
CP0880254
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| Compound Name |
SID14729694
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| Structure |
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| Formula |
C21H26ClNO3
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| Molecular Weight |
375.896
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| Canonical SMILES |
CCOc1ccc(C(=O)C(CN2CCOCC2)c2ccccc2)cc1.Cl
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| InChI |
InChI=1S/C21H25NO3.ClH/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22;/h3-11,20H,2,12-16H2,1H3;1H
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| InChIKey |
CSPPBRFZXWPNTC-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
Protein ID: PT01214, Tyrosine-protein kinase JAK2