General Information of the Compound
| Compound ID |
CP0493387
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| Compound Name |
US9249096, 192
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| Structure |
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| Formula |
C22H20Cl2N2O5
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| Molecular Weight |
463.317
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| Canonical SMILES |
OC(=O)c1ccccc1CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C22H20Cl2N2O5/c23-17-8-7-13(10-18(17)24)4-3-9-25-20(28)16-12-26(21(29)19(16)27)11-14-5-1-2-6-15(14)22(30)31/h1-2,5-8,10,27H,3-4,9,11-12H2,(H,25,28)(H,30,31)
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| InChIKey |
NGSCGWJTSVPHKU-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