General Information of the Compound
| Compound ID |
CP0500090
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| Compound Name |
9-(2-fluorophenyl)-12,14-dimethyl-17-phenyl-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 |
C27H21FN4O2
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| Molecular Weight |
452.489
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| Canonical SMILES |
Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1ccccc1F
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| InChI |
InChI=1S/C27H21FN4O2/c1-30-24-21(26(33)31(2)27(30)34)23(16-10-4-3-5-11-16)32-20-15-9-8-14-19(20)29-22(25(24)32)17-12-6-7-13-18(17)28/h3-15,22,29H,1-2H3
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| InChIKey |
KBABTRPJZCXVAU-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