General Information of the Compound
| Compound ID |
CP0470187
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| Compound Name |
US8933079, 3.10
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
CNCc1ccc(C(=O)Cn2ccc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1
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| InChI |
InChI=1S/C22H22ClN3O3/c1-15-9-16(11-24-2)3-6-20(15)21(27)13-26-8-7-19(10-22(26)28)29-14-18-5-4-17(23)12-25-18/h3-10,12,24H,11,13-14H2,1-2H3
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| InChIKey |
XBXMXXVKBJCDTN-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