General Information of the Compound
| Compound ID |
CP0481349
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| Compound Name |
5-amino-4-[4-(dimethylamino)phenyl]-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 |
C19H23N5S
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| Molecular Weight |
353.495
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| Canonical SMILES |
CN(C)c1ccc(cc1)C1NC(=S)Nc2nc3CCCCc3c(N)c12
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| InChI |
InChI=1S/C19H23N5S/c1-24(2)12-9-7-11(8-10-12)17-15-16(20)13-5-3-4-6-14(13)21-18(15)23-19(25)22-17/h7-10,17H,3-6H2,1-2H3,(H4,20,21,22,23,25)
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| InChIKey |
JJRQLEQTWXNCLT-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