General Information of the Compound
| Compound ID |
CP0484445
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| Compound Name |
US9346786, 92
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| Structure |
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| Formula |
C31H34ClF4N3O4
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| Molecular Weight |
624.075
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1(CCC1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H34ClF4N3O4/c1-2-39(29(42)43-24-10-8-23(33)9-11-24)26-19-38(18-25(26)20-4-6-22(32)7-5-20)27(40)21-12-16-37(17-13-21)28(41)30(14-3-15-30)31(34,35)36/h4-11,21,25-26H,2-3,12-19H2,1H3/t25-,26+/m0/s1
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| InChIKey |
GELVYYXZRNDNHX-IZZNHLLZSA-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