General Information of the Compound
| Compound ID |
CP0503295
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| Compound Name |
2-[Methyl-(2-thiophen-2-yl-ethyl)-amino]-pyrimido[2,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C19H17N3OS
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| Molecular Weight |
335.432
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| Canonical SMILES |
CN(CCc1cccs1)c1cc(=O)n2ccc3ccccc3c2n1
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| InChI |
InChI=1S/C19H17N3OS/c1-21(10-9-15-6-4-12-24-15)17-13-18(23)22-11-8-14-5-2-3-7-16(14)19(22)20-17/h2-8,11-13H,9-10H2,1H3
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| InChIKey |
VSWPWCYLSIWRFD-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