General Information of the Compound
| Compound ID |
CP0502405
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| Compound Name |
N,N-diethyl-10-(4-ethylphenyl)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 |
CCN(CC)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(CC)cc1
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| InChI |
InChI=1S/C19H21N5O2S2/c1-4-13-7-9-14(10-8-13)28(25,26)19-18-20-17(23(5-2)6-3)16-15(11-12-27-16)24(18)22-21-19/h7-12H,4-6H2,1-3H3
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| InChIKey |
FTMNLKKWJDOOJJ-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