General Information of the Compound
| Compound ID |
CP0545598
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| Compound Name |
US9428460, 6
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| Formula |
C20H20FN3O3
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| Molecular Weight |
369.396
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| Canonical SMILES |
Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12
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| InChI |
InChI=1S/C20H20FN3O3/c21-16-3-1-2-15-18(8-10-22-19(15)16)27-14-6-4-13(5-7-14)12-23-20(25)17-9-11-26-24-17/h1-3,8-11,13-14H,4-7,12H2,(H,23,25)/t13-,14-
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| InChIKey |
GPIBRJSMBUXWNO-HDJSIYSDSA-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