General Information of the Compound
| Compound ID |
CP0516935
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| Compound Name |
US9428456, 2.034
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| Structure |
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| Formula |
C27H27ClF3N3O3
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| Molecular Weight |
533.978
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| Canonical SMILES |
Cc1cc(CNC(=O)C2CCN(Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)CC2)c(o1)C(F)(F)F
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| InChI |
InChI=1S/C27H27ClF3N3O3/c1-17-13-21(24(37-17)27(29,30)31)15-32-25(35)20-9-11-34(12-10-20)16-18-3-2-4-23(14-18)33-26(36)19-5-7-22(28)8-6-19/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,32,35)(H,33,36)
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| InChIKey |
ADULQKNSCDPBOO-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