General Information of the Compound
| Compound ID |
CP0571083
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| Compound Name |
(5R,11R)-N-(3-cyano-4-fluorophenyl)-11-(2,2-difluoroethoxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
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| Structure |
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| Formula |
C22H23F3N6O4
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| Molecular Weight |
492.458
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| Canonical SMILES |
C[C@@H]1Cc2nn3C[C@H](COCC(F)F)ON(C)C(=O)c3c2CN1C(=O)Nc1ccc(F)c(c1)C#N
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| InChI |
InChI=1S/C22H23F3N6O4/c1-12-5-18-16(9-30(12)22(33)27-14-3-4-17(23)13(6-14)7-26)20-21(32)29(2)35-15(8-31(20)28-18)10-34-11-19(24)25/h3-4,6,12,15,19H,5,8-11H2,1-2H3,(H,27,33)/t12-,15-/m1/s1
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| InChIKey |
JMBSROMXXIPQJK-IUODEOHRSA-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