General Information of the Compound
| Compound ID |
CP0520252
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| Compound Name |
US9181182, 8
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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)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc12
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| InChI |
InChI=1S/C21H22Cl2N2O4/c22-14-6-18(23)17-8-16(29-20(17)7-14)9-28-15-1-2-19-13(5-15)3-4-25(19)10-21(24,11-26)12-27/h1-2,5-8,26-27H,3-4,9-12,24H2
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| InChIKey |
FBQHSFTYWKCWBQ-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