General Information of the Compound
| Compound ID |
CP0565481
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| Compound Name |
US9346786, 71
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| Structure |
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| Formula |
C30H31ClF5N3O4
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| Molecular Weight |
628.038
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H31ClF5N3O4/c1-2-39(28(42)43-21-6-4-20(32)5-7-21)25-17-38(16-22(25)19-3-8-23(31)24(33)15-19)26(40)18-9-13-37(14-10-18)27(41)29(11-12-29)30(34,35)36/h3-8,15,18,22,25H,2,9-14,16-17H2,1H3/t22-,25+/m0/s1
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| InChIKey |
INDKIPQJUGUVTF-WIOPSUGQSA-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