General Information of the Compound
| Compound ID |
CP0864551
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| Compound Name |
SID24801966
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| Structure |
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| Formula |
C21H19ClN2O6
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| Molecular Weight |
430.844
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C(=O)O)cc1.Cl
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| InChI |
InChI=1S/C21H18N2O6.ClH/c1-3-29-21(27)16-11-22-17-9-6-13(20(26)28-2)10-15(17)18(16)23-14-7-4-12(5-8-14)19(24)25;/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25);1H
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| InChIKey |
INEZYGHQMPTIIK-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