General Information of the Compound
| Compound ID |
CP0443083
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| Compound Name |
US10077266, Example 103
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| Structure |
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| Formula |
C24H29F4N5O3
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| Molecular Weight |
511.52
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| Canonical SMILES |
CO[C@H](C)C(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NCC(F)F)nc2C1
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| InChI |
InChI=1S/C24H29F4N5O3/c1-14(35-2)24(34)33-10-7-18-19(13-33)30-22(29-12-21(27)28)23(31-18)32-8-5-16(6-9-32)36-20-4-3-15(25)11-17(20)26/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,29,30)/t14-/m1/s1
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| InChIKey |
RDXSNOSVIFKOPG-CQSZACIVSA-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