General Information of the Compound
| Compound ID |
CP0148526
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| Compound Name |
methyl 12-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-8-carboxylate
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| Structure |
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| Formula |
C19H19N3O5S
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| Molecular Weight |
401.444
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| Canonical SMILES |
COC(=O)N1Cc2cn(C)c3c2c(c[nH]c3=O)-c2cc(CS(C)(=O)=O)ccc12
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| InChI |
InChI=1S/C19H19N3O5S/c1-21-8-12-9-22(19(24)27-2)15-5-4-11(10-28(3,25)26)6-13(15)14-7-20-18(23)17(21)16(12)14/h4-8H,9-10H2,1-3H3,(H,20,23)
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| InChIKey |
IBONIJZOLAWQOF-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