General Information of the Compound
| Compound ID |
CP0502576
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| Compound Name |
17-(2-fluorophenyl)-9-(3-methoxyphenyl)-12,14-dimethyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
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| Structure |
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| Formula |
C28H23FN4O3
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| Molecular Weight |
482.515
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| Canonical SMILES |
COc1cccc(c1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1F
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| InChI |
InChI=1S/C28H23FN4O3/c1-31-25-22(27(34)32(2)28(31)35)24(18-11-4-5-12-19(18)29)33-21-14-7-6-13-20(21)30-23(26(25)33)16-9-8-10-17(15-16)36-3/h4-15,23,30H,1-3H3
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| InChIKey |
ZWWBJQZSQMIKLM-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