General Information of the Compound
| Compound ID |
CP0527295
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| Compound Name |
US9216968, 151
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| Structure |
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| Formula |
C29H30ClF3N6O2
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| Molecular Weight |
587.046
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| Canonical SMILES |
CCN(CC)CCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C29H30ClF3N6O2/c1-4-39(5-2)14-13-34-28-37-24-16-18(35-26(40)19-9-6-7-10-21(19)29(31,32)33)15-20(25(24)38-28)27(41)36-23-12-8-11-22(30)17(23)3/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,35,40)(H,36,41)(H2,34,37,38)
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| InChIKey |
SVQGLSWGXKLZIM-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