General Information of the Compound
| Compound ID |
CP0418252
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| Compound Name |
US9216968, 202
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| Structure |
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| Formula |
C25H21ClF3N5O2
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| Molecular Weight |
515.923
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| Canonical SMILES |
CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C25H21ClF3N5O2/c1-13-8-9-14(11-19(13)26)30-23(36)17-10-15(12-20-21(17)33-24(32-20)34(2)3)31-22(35)16-6-4-5-7-18(16)25(27,28)29/h4-12H,1-3H3,(H,30,36)(H,31,35)(H,32,33)
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| InChIKey |
IERGFTMWIXHFRA-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