General Information of the Compound
| Compound ID |
CP0317919
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| Compound Name |
3-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)pyrido[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C16H14FIN4O3
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| Molecular Weight |
456.215
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| Canonical SMILES |
OC[C@@H](O)Cn1cnc2cncc(Nc3ccc(I)cc3F)c2c1=O
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| InChI |
InChI=1S/C16H14FIN4O3/c17-11-3-9(18)1-2-12(11)21-14-5-19-4-13-15(14)16(25)22(8-20-13)6-10(24)7-23/h1-5,8,10,21,23-24H,6-7H2/t10-/m0/s1
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| InChIKey |
UNDDRDUPXYCODB-JTQLQIEISA-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