General Information of the Compound
| Compound ID |
CP0533131
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| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-4,8,15-triazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
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| Formula |
C27H31N3O4S2
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| Molecular Weight |
525.696
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCc2cccc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2
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| InChI |
InChI=1S/C27H31N3O4S2/c1-21-7-11-26(12-8-21)35(31,32)29-17-15-24-5-4-6-25(28-24)16-18-30(20-23(3)19-29)36(33,34)27-13-9-22(2)10-14-27/h4-14H,3,15-20H2,1-2H3
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| InChIKey |
KLYHHCRVQRWLGG-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