General Information of the Compound
| Compound ID |
CP0578359
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-11,13-dimethyl-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 |
C19H21ClFN5O2
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| Molecular Weight |
405.861
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| Canonical SMILES |
CC1CN(C)C(=O)c2c3CN(CCc3nn2C1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C19H21ClFN5O2/c1-11-8-24(2)18(27)17-13-10-25(6-5-16(13)23-26(17)9-11)19(28)22-12-3-4-15(21)14(20)7-12/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,22,28)
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| InChIKey |
KRPUKWADPQKXQJ-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