General Information of the Compound
| Compound ID |
CP0529059
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| Compound Name |
12,14-dimethyl-9-(5-methylthiophen-2-yl)-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 |
C26H22N4O2S
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| Molecular Weight |
454.555
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| Canonical SMILES |
Cc1ccc(s1)C1Nc2ccccc2-n2c1c1n(C)c(=O)n(C)c(=O)c1c2-c1ccccc1
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| InChI |
InChI=1S/C26H22N4O2S/c1-15-13-14-19(33-15)21-24-23-20(25(31)29(3)26(32)28(23)2)22(16-9-5-4-6-10-16)30(24)18-12-8-7-11-17(18)27-21/h4-14,21,27H,1-3H3
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| InChIKey |
LMYYPGVGVUETTR-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