General Information of the Compound
| Compound ID |
CP0561263
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| Compound Name |
US9422293, 132
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| Structure |
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| Formula |
C29H34F3N5
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| Molecular Weight |
509.62
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C2CCCCC2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C29H34F3N5/c1-19(2)26-35-25-15-18-37(28-24(29(30,31)32)9-6-16-33-28)17-14-23(25)27(36-26)34-22-12-10-21(11-13-22)20-7-4-3-5-8-20/h6,9-13,16,19-20H,3-5,7-8,14-15,17-18H2,1-2H3,(H,34,35,36)
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| InChIKey |
BCUZKAFCUPBWSF-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