General Information of the Compound
| Compound ID |
CP0419445
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| Compound Name |
US9216972, 5
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| Structure |
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| Formula |
C24H24F3N3O4
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| Molecular Weight |
475.467
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| Canonical SMILES |
CC(C)Cc1onc(-c2onc-3c2CCc2cc(CN4CC(C4)C(O)=O)ccc-32)c1C(F)(F)F
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| InChI |
InChI=1S/C24H24F3N3O4/c1-12(2)7-18-19(24(25,26)27)21(29-33-18)22-17-6-4-14-8-13(3-5-16(14)20(17)28-34-22)9-30-10-15(11-30)23(31)32/h3,5,8,12,15H,4,6-7,9-11H2,1-2H3,(H,31,32)
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| InChIKey |
ZTLGFSIKSUCOEW-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