General Information of the Compound
| Compound ID |
CP0274493
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| Compound Name |
(R)-3-(3-Methoxy-benzyloxy)-7-methyl-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C20H20N2O3S
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| Molecular Weight |
368.458
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| Canonical SMILES |
COc1cccc(COc2ccc3sc4c(NC[C@@H](C)NC4=O)c3c2)c1
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| InChI |
InChI=1S/C20H20N2O3S/c1-12-10-21-18-16-9-15(6-7-17(16)26-19(18)20(23)22-12)25-11-13-4-3-5-14(8-13)24-2/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1
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| InChIKey |
URPBNNONUNUVHW-GFCCVEGCSA-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