General Information of the Compound
| Compound ID |
CP0450157
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| Compound Name |
US9062048, 33
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| Formula |
C25H32F3N5O
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| Molecular Weight |
475.559
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCC3)c2c1
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| InChI |
InChI=1S/C25H32F3N5O/c26-25(27,28)18-7-10-22-21(11-18)24(31-15-30-22)29-12-23(34)32-19-13-33(14-19)20-8-5-17(6-9-20)16-3-1-2-4-16/h7,10-11,15-17,19-20H,1-6,8-9,12-14H2,(H,32,34)(H,29,30,31)/t17-,20+
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| InChIKey |
RRTPMDNEBIXFSP-MSEWRSJXSA-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