General Information of the Compound
| Compound ID |
CP0484447
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| Compound Name |
US9346786, 122
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| Structure |
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| Formula |
C36H43F2N5O4
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| Molecular Weight |
647.767
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| Canonical SMILES |
CCN(CC)CC(=O)c1ccc(nc1)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1)N(CC)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C36H43F2N5O4/c1-4-40(5-2)24-33(44)27-9-16-34(39-21-27)41-19-17-26(18-20-41)35(45)42-22-31(25-7-10-28(37)11-8-25)32(23-42)43(6-3)36(46)47-30-14-12-29(38)13-15-30/h7-16,21,26,31-32H,4-6,17-20,22-24H2,1-3H3/t31-,32+/m0/s1
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| InChIKey |
LQDPRAKCJYXWBQ-AJQTZOPKSA-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