General Information of the Compound
| Compound ID |
CP0558430
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| Compound Name |
2-(cyclopentylmethyl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H18N4OS
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| Molecular Weight |
314.414
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| Canonical SMILES |
Cc1n[nH]cc1-c1cc2nc(CC3CCCC3)[nH]c(=O)c2s1
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| InChI |
InChI=1S/C16H18N4OS/c1-9-11(8-17-20-9)13-7-12-15(22-13)16(21)19-14(18-12)6-10-4-2-3-5-10/h7-8,10H,2-6H2,1H3,(H,17,20)(H,18,19,21)
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| InChIKey |
WKAMPKSOGHVOJB-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