General Information of the Compound
| Compound ID |
CP0054692
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| Compound Name |
1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C7H5NOS
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| Molecular Weight |
151.19
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| Canonical SMILES |
O=c1[nH]sc2ccccc12
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| InChI |
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
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| InChIKey |
DMSMPAJRVJJAGA-UHFFFAOYSA-N
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| CAS |
101964-01-6
2634-33-5
40991-37-5
54392-14-2
75037-67-1
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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: PT02467, Monoglyceride lipase