General Information of the Compound
| Compound ID |
CP0488849
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| Compound Name |
US9206164, 8
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| Structure |
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| Formula |
C22H20ClN3O2
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| Molecular Weight |
393.874
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| Canonical SMILES |
Cc1nn(Cc2ccccc2-c2cc3ccc(Cl)cc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H20ClN3O2/c1-13-19(11-22(27)28)14(2)26(25-13)12-16-5-3-4-6-18(16)21-9-15-7-8-17(23)10-20(15)24-21/h3-10,24H,11-12H2,1-2H3,(H,27,28)
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| InChIKey |
YBEQBMNESOKHBS-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