General Information of the Compound
| Compound ID |
CP0566722
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| Compound Name |
US9216968, 120
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| Structure |
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| Formula |
C27H26Cl2N4O4
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| Molecular Weight |
541.435
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| Canonical SMILES |
CCOCc1ccc(Cl)c(c1)C(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2C)c2nc(COC)[nH]c2c1
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| InChI |
InChI=1S/C27H26Cl2N4O4/c1-4-37-13-16-8-9-21(29)18(10-16)26(34)30-17-11-19(25-23(12-17)31-24(33-25)14-36-3)27(35)32-22-7-5-6-20(28)15(22)2/h5-12H,4,13-14H2,1-3H3,(H,30,34)(H,31,33)(H,32,35)
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| InChIKey |
HHFOOKNIYDTCKF-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