General Information of the Compound
| Compound ID |
CP0519026
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| Compound Name |
US9181182, 41(a)
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| Structure |
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| Formula |
C21H22Cl2N2O4
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| Molecular Weight |
437.323
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| Canonical SMILES |
NC(CO)(CO)CN1CCc2c1cccc2OCc1cc2c(Cl)cc(Cl)cc2o1
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| InChI |
InChI=1S/C21H22Cl2N2O4/c22-13-6-17(23)16-8-14(29-20(16)7-13)9-28-19-3-1-2-18-15(19)4-5-25(18)10-21(24,11-26)12-27/h1-3,6-8,26-27H,4-5,9-12,24H2
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| InChIKey |
OOLOVCZLBKLKNS-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