General Information of the Compound
| Compound ID |
CP0493133
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| Compound Name |
US9340500, I-051
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| Structure |
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| Formula |
C27H30F3N3O2
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| Molecular Weight |
485.55
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| Canonical SMILES |
CC(C)C(=O)N(C)CCCn1c(C)c(cc1-c1ccccc1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H30F3N3O2/c1-18(2)26(35)32(4)14-9-15-33-19(3)23(17-24(33)20-10-6-5-7-11-20)25(34)31-22-13-8-12-21(16-22)27(28,29)30/h5-8,10-13,16-18H,9,14-15H2,1-4H3,(H,31,34)
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| InChIKey |
UYSMWERBQXRPKV-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