General Information of the Compound
| Compound ID |
CP0542727
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| Compound Name |
US9206173, 1
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| Structure |
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| Formula |
C27H21F4N5O2
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| Molecular Weight |
523.49
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| Canonical SMILES |
C[C@H](Nc1nc2CCN(Cc2c(=O)n1CC#C)C(=O)c1ccc(cc1F)C#N)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H21F4N5O2/c1-3-11-36-25(38)21-15-35(24(37)20-9-4-17(14-32)13-22(20)28)12-10-23(21)34-26(36)33-16(2)18-5-7-19(8-6-18)27(29,30)31/h1,4-9,13,16H,10-12,15H2,2H3,(H,33,34)/t16-/m0/s1
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| InChIKey |
ADILCYSDZPCUMZ-INIZCTEOSA-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