General Information of the Compound
| Compound ID |
CP0426623
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| Compound Name |
US8791272, 12.3
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| Structure |
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| Formula |
C24H25ClN2O2
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| Molecular Weight |
408.929
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| Canonical SMILES |
CCc1nn(Cc2ccc(\C=C\c3ccc(Cl)cc3)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H25ClN2O2/c1-3-22-21(15-24(28)29)23(4-2)27(26-22)16-19-9-7-17(8-10-19)5-6-18-11-13-20(25)14-12-18/h5-14H,3-4,15-16H2,1-2H3,(H,28,29)/b6-5+
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| InChIKey |
UXJUABYNEVYQQF-AATRIKPKSA-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