General Information of the Compound
| Compound ID |
CP0144776
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| Compound Name |
5-amino-4-(4-methoxyphenyl)-3,4,6,7,8,9-hexahydro-1H-pyrimido[4,5-b]quinoline-2-thione
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| Structure |
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| Formula |
C18H20N4OS
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| Molecular Weight |
340.452
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| Canonical SMILES |
COc1ccc(cc1)C1NC(=S)Nc2nc3CCCCc3c(N)c12
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| InChI |
InChI=1S/C18H20N4OS/c1-23-11-8-6-10(7-9-11)16-14-15(19)12-4-2-3-5-13(12)20-17(14)22-18(24)21-16/h6-9,16H,2-5H2,1H3,(H4,19,20,21,22,24)
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| InChIKey |
RIXYCWGCLUQKNA-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