General Information of the Compound
| Compound ID |
CP0453780
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| Compound Name |
17-(2-fluorophenyl)-4,5,12,14-tetramethyl-9-(5-methylfuran-2-yl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-13,15-dione
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| Structure |
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| Formula |
C28H25FN4O3
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| Molecular Weight |
484.531
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| Canonical SMILES |
Cc1ccc(o1)C1Nc2cc(C)c(C)cc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1F
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| InChI |
InChI=1S/C28H25FN4O3/c1-14-12-19-20(13-15(14)2)33-24(17-8-6-7-9-18(17)29)22-25(31(4)28(35)32(5)27(22)34)26(33)23(30-19)21-11-10-16(3)36-21/h6-13,23,30H,1-5H3
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| InChIKey |
NOWHIMIREYXTHD-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