General Information of the Compound
| Compound ID |
CP0400630
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| Compound Name |
US8969325, 173
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| Structure |
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| Formula |
C22H21F5N4O3
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| Molecular Weight |
484.425
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| Canonical SMILES |
CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C(F)(F)F)cc2NC1=O
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| InChI |
InChI=1S/C22H21F5N4O3/c1-31-9-12-2-4-14(7-16(12)30-20(31)33)28-19(32)29-17-8-21(10-23,11-24)34-18-6-13(22(25,26)27)3-5-15(17)18/h2-7,17H,8-11H2,1H3,(H,30,33)(H2,28,29,32)/t17-/m1/s1
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| InChIKey |
PEVLIWGTHGULLG-QGZVFWFLSA-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