General Information of the Compound
| Compound ID |
CP0563269
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| Compound Name |
US9062048, 15
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| Formula |
C24H30F3N5O2
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| Molecular Weight |
477.531
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3CCCO3)c2c1
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| InChI |
InChI=1S/C24H30F3N5O2/c25-24(26,27)16-5-8-20-19(10-16)23(30-14-29-20)28-11-22(33)31-17-12-32(13-17)18-6-3-15(4-7-18)21-2-1-9-34-21/h5,8,10,14-15,17-18,21H,1-4,6-7,9,11-13H2,(H,31,33)(H,28,29,30)/t15-,18+,21?
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| InChIKey |
APPVJJKLPJJEBH-HMVYKDSGSA-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