General Information of the Compound
| Compound ID |
CP0556374
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| Compound Name |
US9187424, 229
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| Structure |
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| Formula |
C29H28F6N4O3
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| Molecular Weight |
594.556
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC1=C(CC(NC1=O)(c1cnn(CCCCC(F)(F)F)c1)C(F)(F)F)c1ccc(C)cc1
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| InChI |
InChI=1S/C29H28F6N4O3/c1-18-5-7-19(8-6-18)23-15-27(29(33,34)35,21-16-36-39(17-21)14-4-3-13-28(30,31)32)38-26(41)24(23)37-25(40)20-9-11-22(42-2)12-10-20/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,37,40)(H,38,41)
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| InChIKey |
GKHGNRHYNRXJFF-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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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