General Information of the Compound
| Compound ID |
CP0502575
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| Compound Name |
12,14-dimethyl-9-(5-methylfuran-2-yl)-17-(2-methylphenyl)-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 |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
Cc1ccc(o1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1C
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| InChI |
InChI=1S/C27H24N4O3/c1-15-9-5-6-10-17(15)23-21-24(29(3)27(33)30(4)26(21)32)25-22(20-14-13-16(2)34-20)28-18-11-7-8-12-19(18)31(23)25/h5-14,22,28H,1-4H3
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| InChIKey |
JWEUVSOBQXVGFI-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