General Information of the Compound
Compound ID |
CP0930769
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Compound Name |
US9216968, 71
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Structure |
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Formula |
C27H23ClF3N5O2
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Molecular Weight |
541.961
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Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@@H]3CCCN3)nc12
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InChI |
InChI=1S/C27H23ClF3N5O2/c1-14-19(28)8-4-9-20(14)35-26(38)17-12-15(13-22-23(17)36-24(34-22)21-10-5-11-32-21)33-25(37)16-6-2-3-7-18(16)27(29,30)31/h2-4,6-9,12-13,21,32H,5,10-11H2,1H3,(H,33,37)(H,34,36)(H,35,38)/t21-/m0/s1
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InChIKey |
YPSOCKJCWCDAKB-NRFANRHFSA-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