General Information of the Compound
| Compound ID |
CP0515055
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| Compound Name |
US9216968, 89
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| Structure |
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| Formula |
C27H19ClF6N4O2
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| Molecular Weight |
580.916
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C27H19ClF6N4O2/c1-13-18(28)7-4-8-19(13)36-23(40)16-11-14(35-22(39)15-5-2-3-6-17(15)26(29,30)31)12-20-21(16)38-24(37-20)25(9-10-25)27(32,33)34/h2-8,11-12H,9-10H2,1H3,(H,35,39)(H,36,40)(H,37,38)
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| InChIKey |
YNMKDEMTKFSAIN-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