General Information of the Compound
| Compound ID |
CP0298998
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| Compound Name |
((R)-7-Methyl-9-oxo-6,7,8,9-tetrahydro-5H-10-thia-5,8-diaza-benzo[a]azulen-3-yloxy)-acetic acid methyl ester
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| Structure |
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| Formula |
C15H16N2O4S
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| Molecular Weight |
320.37
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| Canonical SMILES |
COC(=O)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
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| InChI |
InChI=1S/C15H16N2O4S/c1-8-6-16-13-10-5-9(21-7-12(18)20-2)3-4-11(10)22-14(13)15(19)17-8/h3-5,8,16H,6-7H2,1-2H3,(H,17,19)/t8-/m1/s1
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| InChIKey |
PCQUNTVDQZZICH-MRVPVSSYSA-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