General Information of the Compound
| Compound ID |
CP0466605
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| Compound Name |
US9346786, 78
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| Structure |
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| Formula |
C31H29ClF5N5O4
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| Molecular Weight |
666.047
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1cnc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H29ClF5N5O4/c1-2-42(30(45)46-21-6-4-20(33)5-7-21)26-17-41(16-22(26)19-3-8-23(32)24(34)13-19)28(43)18-9-11-40(12-10-18)29(44)25-14-39-27(15-38-25)31(35,36)37/h3-8,13-15,18,22,26H,2,9-12,16-17H2,1H3/t22-,26+/m0/s1
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| InChIKey |
YGBOZLPFOMWIKU-BKMJKUGQSA-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