General Information of the Compound
| Compound ID |
CP0565482
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| Compound Name |
US9346786, 77
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| Structure |
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| Formula |
C32H31ClF3N3O4
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| Molecular Weight |
614.064
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H31ClF3N3O4/c1-2-39(32(42)43-25-10-8-24(35)9-11-25)29-19-38(18-26(29)22-5-12-27(33)28(36)17-22)31(41)21-13-15-37(16-14-21)30(40)20-3-6-23(34)7-4-20/h3-12,17,21,26,29H,2,13-16,18-19H2,1H3/t26-,29+/m0/s1
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| InChIKey |
HGKDRBWWEBYETD-LITSAYRRSA-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