General Information of the Compound
| Compound ID |
CP0556904
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| Compound Name |
US9216968, 204
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| Structure |
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| Formula |
C27H24F3N5O2
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| Molecular Weight |
507.516
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| Canonical SMILES |
CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2CCCc2c1
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| InChI |
InChI=1S/C27H24F3N5O2/c1-35(2)26-33-22-14-18(32-24(36)19-8-3-4-9-21(19)27(28,29)30)13-20(23(22)34-26)25(37)31-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-14H,5-7H2,1-2H3,(H,31,37)(H,32,36)(H,33,34)
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| InChIKey |
MBHQONNSLGNUQE-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