General Information of the Compound
| Compound ID |
CP0558822
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| Compound Name |
CHEMBL4866271
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| Formula |
C18H19N3O
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| Molecular Weight |
293.37
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| Canonical SMILES |
Cc1cc(=O)n2nc(c(C3CCCC3)c2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C18H19N3O/c1-12-11-15(22)21-18(19-12)16(13-7-5-6-8-13)17(20-21)14-9-3-2-4-10-14/h2-4,9-11,13,19H,5-8H2,1H3
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| InChIKey |
RSEXEDRTCCWBFA-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