General Information of the Compound
| Compound ID |
CP0518177
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| Compound Name |
US9206164, 104
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| Structure |
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| Formula |
C23H21Cl2FN4O2
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| Molecular Weight |
475.351
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3c(Cl)cc(Cl)cc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H21Cl2FN4O2/c1-3-18-15(10-21(31)32)20(4-2)30(29-18)11-13-6-5-12(7-17(13)26)23-27-19-9-14(24)8-16(25)22(19)28-23/h5-9H,3-4,10-11H2,1-2H3,(H,27,28)(H,31,32)
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| InChIKey |
KYKRJVYLSYAYBS-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