General Information of the Compound
| Compound ID |
CP0563712
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| Compound Name |
US9150546, I-277
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| Structure |
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| Formula |
C21H22ClFN4O3
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| Molecular Weight |
432.883
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| Canonical SMILES |
CCn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C21H22ClFN4O3/c1-4-26-20(28)25-19(24-16-9-10-18(17(23)11-16)30-13(2)3)27(21(26)29)12-14-5-7-15(22)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,24,25,28)
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| InChIKey |
ZFOLLFDANAKBTB-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