General Information of the Compound
| Compound ID |
CP0518825
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| Compound Name |
US9216968, 164
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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(nc12)N1CCCC1
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| InChI |
InChI=1S/C27H23ClF3N5O2/c1-15-20(28)9-6-10-21(15)33-25(38)18-13-16(14-22-23(18)35-26(34-22)36-11-4-5-12-36)32-24(37)17-7-2-3-8-19(17)27(29,30)31/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,32,37)(H,33,38)(H,34,35)
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| InChIKey |
QWBVDUUFQQRGFB-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