General Information of the Compound
| Compound ID |
CP0386935
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| Compound Name |
MLS001234557
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| Structure |
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| Formula |
C21H25N3O5S
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| Molecular Weight |
431.514
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| Canonical SMILES |
COc1ccc(NC(=O)C(=O)NCC2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
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| InChI |
InChI=1S/C21H25N3O5S/c1-15-5-11-19(12-6-15)30(27,28)24-13-3-4-17(24)14-22-20(25)21(26)23-16-7-9-18(29-2)10-8-16/h5-12,17H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)
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| InChIKey |
RDXIKIDMHWMOBK-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