General Information of the Compound
| Compound ID |
CP0388825
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| Compound Name |
9-(5-bromofuran-2-yl)-12,14-dimethyl-4-nitro-17-phenyl-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 |
C25H18BrN5O5
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| Molecular Weight |
548.353
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| Canonical SMILES |
Cn1c2c3C(Nc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)[N+]([O-])=O)c1ccc(Br)o1
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| InChI |
InChI=1S/C25H18BrN5O5/c1-28-22-19(24(32)29(2)25(28)33)21(13-6-4-3-5-7-13)30-16-12-14(31(34)35)8-9-15(16)27-20(23(22)30)17-10-11-18(26)36-17/h3-12,20,27H,1-2H3
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| InChIKey |
GTHCSYYBUUCKLJ-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