General Information of the Compound
| Compound ID |
CP0565809
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| Compound Name |
8-(4-Chloro-3-nitro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C17H18ClN5O4
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| Molecular Weight |
391.815
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H18ClN5O4/c1-3-7-21-15-13(16(24)22(8-4-2)17(21)25)19-14(20-15)10-5-6-11(18)12(9-10)23(26)27/h5-6,9H,3-4,7-8H2,1-2H3,(H,19,20)
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| InChIKey |
MWLPFEPRJNTKJE-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