General Information of the Compound
| Compound ID |
CP0872670
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| Compound Name |
SID92764451
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| Structure |
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| Formula |
C21H23NO4S
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| Molecular Weight |
385.485
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| Canonical SMILES |
CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)/C=C\[S+]([O-])c1ccccc1
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| InChI |
InChI=1S/C21H23NO4S/c1-21(2,3)22(14-16-9-10-18-19(13-16)26-15-25-18)20(23)11-12-27(24)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3/b12-11-
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| InChIKey |
ONNGZSNFZVBIIU-QXMHVHEDSA-N
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| CAS |
207350-09-2
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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: PT06124, Paired box protein Pax-8