General Information of the Compound
| Compound ID |
CP0371224
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| Compound Name |
4-amino-13-(3-methoxyphenyl)-6-methyl-11-oxo-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-5-carbonitrile
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| Structure |
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| Formula |
C19H16N4O2S
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| Molecular Weight |
364.43
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| Canonical SMILES |
COc1cccc(c1)C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12
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| InChI |
InChI=1S/C19H16N4O2S/c1-9-13(8-20)18(21)23-16-15-12(10-4-3-5-11(6-10)25-2)7-14(24)22-19(15)26-17(9)16/h3-6,12H,7H2,1-2H3,(H2,21,23)(H,22,24)
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| InChIKey |
XQWXNFLYYDSKJD-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