General Information of the Compound
| Compound ID |
CP0515471
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| Compound Name |
US10077266, Example 68
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| Structure |
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| Formula |
C23H28F3N5
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| Molecular Weight |
431.506
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| Canonical SMILES |
CN1CCc2nc(NC3CC3)c(nc2C1)N1CCC(CC1)[C@H](F)c1ccc(F)cc1F
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| InChI |
InChI=1S/C23H28F3N5/c1-30-9-8-19-20(13-30)29-23(22(28-19)27-16-3-4-16)31-10-6-14(7-11-31)21(26)17-5-2-15(24)12-18(17)25/h2,5,12,14,16,21H,3-4,6-11,13H2,1H3,(H,27,28)/t21-/m0/s1
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| InChIKey |
GZJWUTGKWXOMFU-NRFANRHFSA-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