General Information of the Compound
| Compound ID |
CP0325784
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| Compound Name |
US9012461, 33
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| Structure |
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| Formula |
C26H29F3N6O
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| Molecular Weight |
498.553
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ncccc3CC(N)=O)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H29F3N6O/c1-35-13-10-18(11-14-35)17-4-6-20(7-5-17)33-25-32-16-21(26(27,28)29)23(34-25)9-8-22-19(15-24(30)36)3-2-12-31-22/h2-7,12,16,18H,8-11,13-15H2,1H3,(H2,30,36)(H,32,33,34)
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| InChIKey |
PVDNGDSNHFALPO-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