General Information of the Compound
| Compound ID |
CP0512359
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| Compound Name |
US9346786, 101
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| Structure |
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| Formula |
C32H31ClF4N4O4
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| Molecular Weight |
647.069
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H31ClF4N4O4/c1-2-41(31(44)45-25-10-8-24(34)9-11-25)28-19-40(18-26(28)20-3-6-23(33)7-4-20)29(42)21-13-15-39(16-14-21)30(43)27-12-5-22(17-38-27)32(35,36)37/h3-12,17,21,26,28H,2,13-16,18-19H2,1H3/t26-,28+/m0/s1
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| InChIKey |
JPCYBFGJKPZZJS-XTEPFMGCSA-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