General Information of the Compound
| Compound ID |
CP0556524
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| Compound Name |
US8969325, 217
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| Structure |
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| Formula |
C21H20ClF2N3O3
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| Molecular Weight |
435.858
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| Canonical SMILES |
FCC1(CF)C[C@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccc(Cl)cc2O1
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| InChI |
InChI=1S/C21H20ClF2N3O3/c22-13-3-5-15-17(9-21(10-23,11-24)30-18(15)7-13)27-20(29)25-14-4-1-12-2-6-19(28)26-16(12)8-14/h1,3-5,7-8,17H,2,6,9-11H2,(H,26,28)(H2,25,27,29)/t17-/m0/s1
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| InChIKey |
VLMDTUCFXQCREM-KRWDZBQOSA-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