General Information of the Compound
| Compound ID |
CP0920560
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| Compound Name |
US9216968, 73
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| Structure |
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| Formula |
C29H25ClF3N5O3
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| Molecular Weight |
583.998
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| Canonical SMILES |
CC(=O)N1CCC[C@H]1c1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
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| InChI |
InChI=1S/C29H25ClF3N5O3/c1-15-21(30)9-5-10-22(15)36-28(41)19-13-17(34-27(40)18-7-3-4-8-20(18)29(31,32)33)14-23-25(19)37-26(35-23)24-11-6-12-38(24)16(2)39/h3-5,7-10,13-14,24H,6,11-12H2,1-2H3,(H,34,40)(H,35,37)(H,36,41)/t24-/m0/s1
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| InChIKey |
ATWWUIURXLIJLJ-DEOSSOPVSA-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