General Information of the Compound
| Compound ID |
CP0812547
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| Compound Name |
2-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)isonicotinic acid
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| Structure |
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| Formula |
C13H11N3O3
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| Molecular Weight |
257.249
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| Canonical SMILES |
O=C(O)c1ccnc(-c2nc3c(c(=O)[nH]2)CCC3)c1
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| InChI |
InChI=1S/C13H11N3O3/c17-12-8-2-1-3-9(8)15-11(16-12)10-6-7(13(18)19)4-5-14-10/h4-6H,1-3H2,(H,18,19)(H,15,16,17)
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| InChIKey |
UOWBPQSURPDJHA-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