General Information of the Compound
| Compound ID |
CP0386645
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| Compound Name |
US9340500, I-113
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| Formula |
C25H34F3N3O
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| Molecular Weight |
449.561
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)n1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H34F3N3O/c1-16-21(23(32)29-18-9-7-8-17(14-18)25(26,27)28)15-22(24(2,3)4)31(16)20-12-10-19(11-13-20)30(5)6/h7-9,14-15,19-20H,10-13H2,1-6H3,(H,29,32)/t19-,20-
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| InChIKey |
HOGIWSHMERSEPF-MXVIHJGJSA-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