General Information of the Compound
| Compound ID |
CP0400596
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| Compound Name |
US8969325, 53
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| Structure |
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| Formula |
C21H21F3N4O4
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| Molecular Weight |
450.417
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@@H]3CCOc4c3cccc4C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C21H21F3N4O4/c22-21(23,24)15-3-1-2-14-16(6-9-32-18(14)15)26-19(30)25-13-5-4-12-11-28(7-8-29)20(31)27-17(12)10-13/h1-5,10,16,29H,6-9,11H2,(H,27,31)(H2,25,26,30)/t16-/m1/s1
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| InChIKey |
CCWADQUCDRYBHX-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