General Information of the Compound
| Compound ID |
CP0405846
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| Compound Name |
US9481682, 51
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| Structure |
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| Formula |
C28H27F3N8O2
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| Molecular Weight |
564.572
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| Canonical SMILES |
CN1C[C@H]2CC[C@@H](CN2C(=O)C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H27F3N8O2/c1-37-14-20-7-6-18(13-39(20)22(40)15-37)26-36-23(24-25(32)34-10-11-38(24)26)16-2-4-17(5-3-16)27(41)35-21-12-19(8-9-33-21)28(29,30)31/h2-5,8-12,18,20H,6-7,13-15H2,1H3,(H2,32,34)(H,33,35,41)/t18-,20+/m0/s1
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| InChIKey |
SSMJVJVBCHIQBF-AZUAARDMSA-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