General Information of the Compound
| Compound ID |
CP0469954
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| Compound Name |
US8969325, 247
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| Structure |
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2ccc(nc2O1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O3/c1-20(2)10-15(13-6-7-16(21(22,23)24)28-18(13)31-20)27-19(30)25-12-5-3-11-4-8-17(29)26-14(11)9-12/h3,5-7,9,15H,4,8,10H2,1-2H3,(H,26,29)(H2,25,27,30)/t15-/m1/s1
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| InChIKey |
JVOKHBQXJPASQE-OAHLLOKOSA-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