General Information of the Compound
| Compound ID |
CP0517687
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| Compound Name |
N-(5-acetamido-2-chlorophenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
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| Structure |
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| Formula |
C21H21ClN4O3S
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| Molecular Weight |
444.944
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| Canonical SMILES |
CC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3nc4CCCCCn4c(=O)c3c2C)c1
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| InChI |
InChI=1S/C21H21ClN4O3S/c1-11-17-20(25-16-6-4-3-5-9-26(16)21(17)29)30-18(11)19(28)24-15-10-13(23-12(2)27)7-8-14(15)22/h7-8,10H,3-6,9H2,1-2H3,(H,23,27)(H,24,28)
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| InChIKey |
XKTUBKWESRNGEQ-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