General Information of the Compound
| Compound ID |
CP0150271
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| Compound Name |
BAY-H-5757
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| Structure |
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| Formula |
C20H22N4O6S
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| Molecular Weight |
446.485
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| Canonical SMILES |
COCC(=O)Nc1cc(Sc2ccccc2)ccc1N\C(NC(=O)OC)=N/C(=O)OC
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| InChI |
InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)
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| InChIKey |
HMCCXLBXIJMERM-UHFFFAOYSA-N
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| CAS |
58306-30-2
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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: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2