General Information of the Compound
Compound ID |
CP0483914
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Compound Name |
US9206173, 2432
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Structure |
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Formula |
C27H26F3N7O3
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Molecular Weight |
553.545
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Canonical SMILES |
CN(Nc1nc2CCN(Cc2c(=O)n1N1CCOCC1)C(=O)c1ccc(cc1)C#N)c1ccc(cc1)C(F)(F)F
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InChI |
InChI=1S/C27H26F3N7O3/c1-34(21-8-6-20(7-9-21)27(28,29)30)33-26-32-23-10-11-35(24(38)19-4-2-18(16-31)3-5-19)17-22(23)25(39)37(26)36-12-14-40-15-13-36/h2-9H,10-15,17H2,1H3,(H,32,33)
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InChIKey |
WMTAEIBATAGHGR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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