General Information of the Compound
| Compound ID |
CP0576449
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| Compound Name |
US9249096, 195
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| Structure |
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| Formula |
C23H24Cl2N2O3
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| Molecular Weight |
447.362
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| Canonical SMILES |
CN1C(CCc2ccccc2)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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| InChI |
InChI=1S/C23H24Cl2N2O3/c1-27-19(12-10-15-6-3-2-4-7-15)20(21(28)23(27)30)22(29)26-13-5-8-16-9-11-17(24)18(25)14-16/h2-4,6-7,9,11,14,19,28H,5,8,10,12-13H2,1H3,(H,26,29)
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| InChIKey |
MAUGSSVAAPHQJV-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