General Information of the Compound
| Compound ID |
CP0551288
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| Compound Name |
US8969325, 231
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| Structure |
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| Formula |
C21H19ClF3N3O3
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| Molecular Weight |
453.848
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| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccc(Cl)c(F)c2O1
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| InChI |
InChI=1S/C21H19ClF3N3O3/c22-14-5-4-13-16(8-21(9-23,10-24)31-19(13)18(14)25)28-20(30)26-12-3-1-11-2-6-17(29)27-15(11)7-12/h1,3-5,7,16H,2,6,8-10H2,(H,27,29)(H2,26,28,30)/t16-/m1/s1
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| InChIKey |
VYBTWASEKWQQGN-MRXNPFEDSA-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