General Information of the Compound
| Compound ID |
CP0561357
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| Compound Name |
US9216968, 34
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| Structure |
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| Formula |
C28H25F3N4O3
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| Molecular Weight |
522.527
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc2CCCCc12
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| InChI |
InChI=1S/C28H25F3N4O3/c1-38-15-24-33-23-14-17(32-26(36)19-10-4-5-11-21(19)28(29,30)31)13-20(25(23)35-24)27(37)34-22-12-6-8-16-7-2-3-9-18(16)22/h4-6,8,10-14H,2-3,7,9,15H2,1H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
DLBVFWLHQOSYEF-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