General Information of the Compound
| Compound ID |
CP0418324
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| Compound Name |
US9193726, 1
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| Structure |
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| Formula |
C23H21F3N4O3
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| Molecular Weight |
458.44
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N4O3/c1-14-12-28(13-27-14)17-6-7-18-22(32)29(10-11-30(18)21(17)31)16-8-9-20(16)33-19-5-3-2-4-15(19)23(24,25)26/h2-7,12-13,16,20H,8-11H2,1H3/t16-,20-/m1/s1
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| InChIKey |
XFUCEQUGDGIWEL-OXQOHEQNSA-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