General Information of the Compound
| Compound ID |
CP0551310
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| Compound Name |
US8969325, 56
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| Structure |
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| Formula |
C23H25FN4O4
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| Molecular Weight |
440.475
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| Canonical SMILES |
OCCN1Cc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc34)cc2NC1=O
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| InChI |
InChI=1S/C23H25FN4O4/c24-15-3-5-20-17(10-15)19(12-23(32-20)6-1-7-23)26-21(30)25-16-4-2-14-13-28(8-9-29)22(31)27-18(14)11-16/h2-5,10-11,19,29H,1,6-9,12-13H2,(H,27,31)(H2,25,26,30)/t19-/m0/s1
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| InChIKey |
MNPWXYBPXGQLIC-IBGZPJMESA-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