General Information of the Compound
| Compound ID |
CP0100529
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| Compound Name |
12,14-dimethyl-9-(3-nitrophenyl)-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 |
C27H21N5O4
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| Molecular Weight |
479.496
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| Canonical SMILES |
Cn1c2c3C(Nc4ccccc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C27H21N5O4/c1-29-24-21(26(33)30(2)27(29)34)23(16-9-4-3-5-10-16)31-20-14-7-6-13-19(20)28-22(25(24)31)17-11-8-12-18(15-17)32(35)36/h3-15,22,28H,1-2H3
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| InChIKey |
GJCXYXVZACAMCV-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