General Information of the Compound
| Compound ID |
CP0400558
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| Compound Name |
US8969325, 325
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| Structure |
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| Formula |
C20H19ClFN3O4
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| Molecular Weight |
419.84
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(Cl)c(F)c2O1
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| InChI |
InChI=1S/C20H19ClFN3O4/c1-20(2)8-14(11-4-5-12(21)17(22)18(11)29-20)25-19(27)23-10-3-6-15-13(7-10)24-16(26)9-28-15/h3-7,14H,8-9H2,1-2H3,(H,24,26)(H2,23,25,27)/t14-/m1/s1
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| InChIKey |
CJWATZCOQWIODX-CQSZACIVSA-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