General Information of the Compound
| Compound ID |
CP0541860
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| Compound Name |
US8653125, Ic-16
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| Formula |
C23H24F3N3O4
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| Molecular Weight |
463.456
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| Canonical SMILES |
CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Oc3cc(ccn3)C(F)(F)F)cc2oc1=O
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| InChI |
InChI=1S/C23H24F3N3O4/c1-13(2)29-18-8-5-16(12-19(18)33-22(29)31)28-21(30)14-3-6-17(7-4-14)32-20-11-15(9-10-27-20)23(24,25)26/h5,8-14,17H,3-4,6-7H2,1-2H3,(H,28,30)/t14-,17+
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| InChIKey |
NCWOHEXANIQJBB-KDYLLFBJSA-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