General Information of the Compound
| Compound ID |
CP0555883
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| Compound Name |
US9150546, I-348
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| Structure |
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| Formula |
C22H24ClFN4O3
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| Molecular Weight |
446.91
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| Canonical SMILES |
CCCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C22H24ClFN4O3/c1-4-11-27-21(29)26-20(25-17-9-10-19(18(24)12-17)31-14(2)3)28(22(27)30)13-15-5-7-16(23)8-6-15/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,26,29)
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| InChIKey |
JPYJUMSFDCRFTJ-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