General Information of the Compound
| Compound ID |
CP0537694
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-10-(hydroxymethyl)-13-methyl-14-oxo-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 |
C19H21ClFN5O3
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| Molecular Weight |
421.86
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| Canonical SMILES |
CN1CCC(CO)n2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C19H21ClFN5O3/c1-24-6-4-12(10-27)26-17(18(24)28)13-9-25(7-5-16(13)23-26)19(29)22-11-2-3-15(21)14(20)8-11/h2-3,8,12,27H,4-7,9-10H2,1H3,(H,22,29)
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| InChIKey |
VKBLZFMVHIUXMT-UHFFFAOYSA-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