General Information of the Compound
| Compound ID |
CP0418270
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| Compound Name |
US9216972, 22
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| Structure |
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| Formula |
C26H21F3N4O3
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| Molecular Weight |
494.473
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| Canonical SMILES |
OC(=O)C1CN(Cc2ccc3-c4n[nH]c(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
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| InChI |
InChI=1S/C26H21F3N4O3/c27-26(28,29)20-21(15-4-2-1-3-5-15)32-36-24(20)23-19-9-7-16-10-14(6-8-18(16)22(19)30-31-23)11-33-12-17(13-33)25(34)35/h1-6,8,10,17H,7,9,11-13H2,(H,30,31)(H,34,35)
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| InChIKey |
NOCZLXSAZCFIBP-UHFFFAOYSA-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