General Information of the Compound
| Compound ID |
CP0564251
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| Compound Name |
CHEMBL4069075
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| Formula |
C22H25N5O5
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| Molecular Weight |
439.472
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| Canonical SMILES |
CCOC(=O)N1CCC(C)(CC1)c1cc(O)n2nc(C)c(-c3ccc(cc3)[N+]([O-])=O)c2n1
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| InChI |
InChI=1S/C22H25N5O5/c1-4-32-21(29)25-11-9-22(3,10-12-25)17-13-18(28)26-20(23-17)19(14(2)24-26)15-5-7-16(8-6-15)27(30)31/h5-8,13,28H,4,9-12H2,1-3H3
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| InChIKey |
ZZVNIQCKODXPKO-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