General Information of the Compound
| Compound ID |
CP0540939
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| Compound Name |
US9206164, 16
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| Structure |
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| Formula |
C23H22Cl2N4O2
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| Molecular Weight |
457.361
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H22Cl2N4O2/c1-3-18-15(9-22(30)31)21(4-2)29(28-18)12-13-5-7-14(8-6-13)23-26-19-10-16(24)17(25)11-20(19)27-23/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,26,27)(H,30,31)
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| InChIKey |
YCRFMXVJQCWLDE-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