General Information of the Compound
| Compound ID |
CP0543411
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| Compound Name |
(5R,11R)-4-N-(3-cyano-4-fluorophenyl)-11-N-(2,2-difluoroethyl)-11-N,5,13-trimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4,11-dicarboxamide
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| Structure |
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| Formula |
C23H24F3N7O4
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| Molecular Weight |
519.484
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| Canonical SMILES |
C[C@@H]1Cc2nn3C[C@@H](ON(C)C(=O)c3c2CN1C(=O)Nc1ccc(F)c(c1)C#N)C(=O)N(C)CC(F)F
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| InChI |
InChI=1S/C23H24F3N7O4/c1-12-6-17-15(9-32(12)23(36)28-14-4-5-16(24)13(7-14)8-27)20-22(35)31(3)37-18(10-33(20)29-17)21(34)30(2)11-19(25)26/h4-5,7,12,18-19H,6,9-11H2,1-3H3,(H,28,36)/t12-,18-/m1/s1
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| InChIKey |
WVEIAJPNBZMCHX-KZULUSFZSA-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