General Information of the Compound
| Compound ID |
CP0557565
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| Compound Name |
US8987473, 148
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| Structure |
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| Formula |
C19H16Cl2N2O2
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| Molecular Weight |
375.255
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| Canonical SMILES |
OC(=O)Cc1ccc2c(nn(Cc3c(Cl)cccc3Cl)c2c1)C1CC1
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| InChI |
InChI=1S/C19H16Cl2N2O2/c20-15-2-1-3-16(21)14(15)10-23-17-8-11(9-18(24)25)4-7-13(17)19(22-23)12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,24,25)
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| InChIKey |
IPKPKRCWBHIYMX-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