General Information of the Compound
| Compound ID |
CP0513481
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| Compound Name |
5-amino-4-(3-nitrophenyl)-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 |
C17H17N5O2S
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| Molecular Weight |
355.423
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| Canonical SMILES |
Nc1c2CCCCc2nc2NC(=S)NC(c3cccc(c3)[N+]([O-])=O)c12
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| InChI |
InChI=1S/C17H17N5O2S/c18-14-11-6-1-2-7-12(11)19-16-13(14)15(20-17(25)21-16)9-4-3-5-10(8-9)22(23)24/h3-5,8,15H,1-2,6-7H2,(H4,18,19,20,21,25)
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| InChIKey |
AJVJINJDKFGAQT-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