General Information of the Compound
| Compound ID |
CP0479196
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| Compound Name |
US8969325, 249
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| Structure |
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| Formula |
C21H21F2N3O3
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| Molecular Weight |
401.413
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| Canonical SMILES |
C[C@@]1(C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccccc2O1)C(F)F
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| InChI |
InChI=1S/C21H21F2N3O3/c1-21(19(22)23)11-16(14-4-2-3-5-17(14)29-21)26-20(28)24-13-8-6-12-7-9-18(27)25-15(12)10-13/h2-6,8,10,16,19H,7,9,11H2,1H3,(H,25,27)(H2,24,26,28)/t16-,21-/m1/s1
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| InChIKey |
TVLDHXOVDMTRML-IIBYNOLFSA-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