General Information of the Compound
| Compound ID |
CP0072762
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| Compound Name |
US8877944, 105
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| Structure |
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| Formula |
C20H24Cl2FN3O2
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| Molecular Weight |
428.335
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| Canonical SMILES |
NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12
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| InChI |
InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)
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| InChIKey |
CXTSPYBVOJLLFL-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