General Information of the Compound
| Compound ID |
CP0037077
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| Compound Name |
lactam-based compound, 12c
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| Structure |
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| Formula |
C21H19Cl2N3O
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| Molecular Weight |
400.309
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| Canonical SMILES |
CC(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
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| InChIKey |
UBGVLKZTVPOVTN-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