General Information of the Compound
| Compound ID |
CP0035700
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| Compound Name |
ether-based lactam, 19e
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| Structure |
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| Formula |
C22H19Cl2F2N3O2
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| Molecular Weight |
466.315
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| Canonical SMILES |
CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
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| InChI |
InChI=1S/C22H19Cl2F2N3O2/c1-2-22(25,26)13-28-11-12-31-20-18(21(28)30)27-29(17-6-4-3-5-16(17)24)19(20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3
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| InChIKey |
LRZXYARISQFUKT-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