General Information of the Compound
| Compound ID |
CP0502402
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| Compound Name |
N-(3-methylbutyl)-10-(4-methylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
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| Structure |
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| Formula |
C19H21N5O2S2
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| Molecular Weight |
415.544
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| Canonical SMILES |
CC(C)CCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C19H21N5O2S2/c1-12(2)8-10-20-17-16-15(9-11-27-16)24-18(21-17)19(22-23-24)28(25,26)14-6-4-13(3)5-7-14/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,21)
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| InChIKey |
SJNHSELLHFXHGK-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