General Information of the Compound
| Compound ID |
CP0483331
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| Compound Name |
US9346786, 89
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| Structure |
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| Formula |
C30H34ClF2N3O4
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| Molecular Weight |
574.068
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC(F)C1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H34ClF2N3O4/c1-2-36(30(39)40-25-9-7-23(32)8-10-25)27-18-35(17-26(27)19-3-5-22(31)6-4-19)28(37)20-11-13-34(14-12-20)29(38)21-15-24(33)16-21/h3-10,20-21,24,26-27H,2,11-18H2,1H3/t21?,24?,26-,27+/m0/s1
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| InChIKey |
MRRDZQQRSSSSBW-NCZXSEEVSA-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