General Information of the Compound
| Compound ID |
CP0158294
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| Compound Name |
lactam-based compound, 12d
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| Structure |
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| Formula |
C22H21Cl2N3O
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| Molecular Weight |
414.336
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| Canonical SMILES |
CC(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3
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| InChIKey |
WRYHYMZLAAULED-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