General Information of the Compound
| Compound ID |
CP0231380
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| Compound Name |
US9012461, 36
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| Structure |
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| Formula |
C27H31F3N6O
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| Molecular Weight |
512.58
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| Canonical SMILES |
CN1CCN(Cc2ccc(Nc3ncc(c(CCc4ccccc4CC(N)=O)n3)C(F)(F)F)cc2)CC1
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| InChI |
InChI=1S/C27H31F3N6O/c1-35-12-14-36(15-13-35)18-19-6-9-22(10-7-19)33-26-32-17-23(27(28,29)30)24(34-26)11-8-20-4-2-3-5-21(20)16-25(31)37/h2-7,9-10,17H,8,11-16,18H2,1H3,(H2,31,37)(H,32,33,34)
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| InChIKey |
ACIBTFUWZHGTPF-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