General Information of the Compound
| Compound ID |
CP0533808
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| Compound Name |
(11R)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-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 |
C18H19ClFN5O4
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| Molecular Weight |
423.832
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| Canonical SMILES |
CN1O[C@@H](CO)Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H19ClFN5O4/c1-23-17(27)16-12-8-24(18(28)21-10-2-3-14(20)13(19)6-10)5-4-15(12)22-25(16)7-11(9-26)29-23/h2-3,6,11,26H,4-5,7-9H2,1H3,(H,21,28)/t11-/m1/s1
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| InChIKey |
ZZHSDUHGSNPHSZ-LLVKDONJSA-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